N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide

C26H35ClN6O — CID 45205013

IUPACN-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(Cc2ccccc2)C2CCN(Cc3c(C)nn(C)c3Cl)CC2)n(C)n1
InChIInChI=1S/C26H35ClN6O/c1-18-15-24(31(4)28-18)26(34)30(3)23(16-20-9-7-6-8-10-20)21-11-13-33(14-12-21)17-22-19(2)29-32(5)25(22)27/h6-10,15,21,23H,11-14,16-17H2,1-5H3
InChIKeyLRMGKJYUESHAKE-UHFFFAOYSA-N
MW483.06 g/mol
LogP4.02
Rot. Bonds7

About N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide

N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide (PubChem CID 45205013) has the molecular formula C26H35ClN6O and a molecular weight of 483.06 g/mol. Its IUPAC name is N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
PubChem CID45205013
Molecular FormulaC26H35ClN6O
Molecular Weight483.06 g/mol
Exact Mass482.26
IUPAC NameN-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(Cc2ccccc2)C2CCN(Cc3c(C)nn(C)c3Cl)CC2)n(C)n1
InChIInChI=1S/C26H35ClN6O/c1-18-15-24(31(4)28-18)26(34)30(3)23(16-20-9-7-6-8-10-20)21-11-13-33(14-12-21)17-22-19(2)29-32(5)25(22)27/h6-10,15,21,23H,11-14,16-17H2,1-5H3
InChIKeyLRMGKJYUESHAKE-UHFFFAOYSA-N
XLogP4.02
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.06
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 45209709
N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 26274500
N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 45228845
N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 42366878
N,2,5-trimethyl-N-[(1S)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 26322188
N,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 45220738
(1R)-1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 29256610
N-[(1R)-1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42368849
4-benzyl-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 52551408
N-[(1S)-1-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 26278045
N-[(1S)-1-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42237070
N-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 26334476

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide (CID 45205013) is N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C(Cc2ccccc2)C2CCN(Cc3c(C)nn(C)c3Cl)CC2)n(C)n1.
What is the InChIKey of N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The InChIKey is LRMGKJYUESHAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN6O/c1-18-15-24(31(4)28-18)26(34)30(3)23(16-20-9-7-6-8-10-20)21-11-13-33(14-12-21)17-22-19(2)29-32(5)25(22)27/h6-10,15,21,23H,11-14,16-17H2,1-5H3.
What are the key properties of N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide?
N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide has a molecular weight of 483.06 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 45205013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).