N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C20H29ClN6O — CID 24819134

IUPACN-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCc1nn(C)c(Cl)c1CN1CCC(n2nccc2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C20H29ClN6O/c1-14-17(19(21)25(2)24-14)13-26-11-8-16(9-12-26)27-18(7-10-22-27)23-20(28)15-5-3-4-6-15/h7,10,15-16H,3-6,8-9,11-13H2,1-2H3,(H,23,28)
InChIKeyVFJQXECSEBTRQG-UHFFFAOYSA-N
MW404.95 g/mol
LogP3.54
Rot. Bonds5

About N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 24819134) has the molecular formula C20H29ClN6O and a molecular weight of 404.95 g/mol. Its IUPAC name is N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID24819134
Molecular FormulaC20H29ClN6O
Molecular Weight404.95 g/mol
Exact Mass404.21
IUPAC NameN-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCc1nn(C)c(Cl)c1CN1CCC(n2nccc2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C20H29ClN6O/c1-14-17(19(21)25(2)24-14)13-26-11-8-16(9-12-26)27-18(7-10-22-27)23-20(28)15-5-3-4-6-15/h7,10,15-16H,3-6,8-9,11-13H2,1-2H3,(H,23,28)
InChIKeyVFJQXECSEBTRQG-UHFFFAOYSA-N
XLogP3.54
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.95
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 56701108
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CID 24816873
N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 56742072
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N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24818917
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CID 136525947
(3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26390940
N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 26404364
(3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 164629745
N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 45250863
N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 25378951
N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24817721

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 24819134) is N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is Cc1nn(C)c(Cl)c1CN1CCC(n2nccc2NC(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is VFJQXECSEBTRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN6O/c1-14-17(19(21)25(2)24-14)13-26-11-8-16(9-12-26)27-18(7-10-22-27)23-20(28)15-5-3-4-6-15/h7,10,15-16H,3-6,8-9,11-13H2,1-2H3,(H,23,28).
What are the key properties of N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 404.95 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24819134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).