N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide

C22H26N6O — CID 129324409

IUPACN-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide
SMILESCCNC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(Cc2cncnc2)C1
InChIInChI=1S/C22H26N6O/c1-2-25-22(29)20-15-28(19-8-4-3-5-9-19)26-21(20)18-7-6-10-27(14-18)13-17-11-23-16-24-12-17/h3-5,8-9,11-12,15-16,18H,2,6-7,10,13-14H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyMJBOTESIVVQSOU-GOSISDBHSA-N
MW390.49 g/mol
LogP2.79
Rot. Bonds6

About N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide

N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide (PubChem CID 129324409) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide
PubChem CID129324409
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide
SMILESCCNC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(Cc2cncnc2)C1
InChIInChI=1S/C22H26N6O/c1-2-25-22(29)20-15-28(19-8-4-3-5-9-19)26-21(20)18-7-6-10-27(14-18)13-17-11-23-16-24-12-17/h3-5,8-9,11-12,15-16,18H,2,6-7,10,13-14H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyMJBOTESIVVQSOU-GOSISDBHSA-N
XLogP2.79
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 137222258
N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 129323745
3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 129323530
3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 167920055
3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide
CID 128993642
3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 128989170
N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916715
3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 128991468
N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 42216008
3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
CID 95111353
N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 97085545
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55637223

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide (CID 129324409) is N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide is CCNC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(Cc2cncnc2)C1.
What is the InChIKey of N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is MJBOTESIVVQSOU-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N6O/c1-2-25-22(29)20-15-28(19-8-4-3-5-9-19)26-21(20)18-7-6-10-27(14-18)13-17-11-23-16-24-12-17/h3-5,8-9,11-12,15-16,18H,2,6-7,10,13-14H2,1H3,(H,25,29)/t18-/m1/s1.
What are the key properties of N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide?
N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 129324409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).