N-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide

C18H25ClN6O2 — CID 131907519

IUPACN-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)NCC2CCCN(C(=O)c3n[nH]c(C)c3Cl)C2)c1
InChIInChI=1S/C18H25ClN6O2/c1-12-8-21-25(10-12)7-5-15(26)20-9-14-4-3-6-24(11-14)18(27)17-16(19)13(2)22-23-17/h8,10,14H,3-7,9,11H2,1-2H3,(H,20,26)(H,22,23)
InChIKeyKTZUFWXFURALQL-UHFFFAOYSA-N
MW392.89 g/mol
LogP1.94
Rot. Bonds6

About N-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide

N-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 131907519) has the molecular formula C18H25ClN6O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID131907519
Molecular FormulaC18H25ClN6O2
Molecular Weight392.89 g/mol
Exact Mass392.17
IUPAC NameN-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)NCC2CCCN(C(=O)c3n[nH]c(C)c3Cl)C2)c1
InChIInChI=1S/C18H25ClN6O2/c1-12-8-21-25(10-12)7-5-15(26)20-9-14-4-3-6-24(11-14)18(27)17-16(19)13(2)22-23-17/h8,10,14H,3-7,9,11H2,1-2H3,(H,20,26)(H,22,23)
InChIKeyKTZUFWXFURALQL-UHFFFAOYSA-N
XLogP1.94
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide
CID 131941530
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CID 71880008
N-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 131921194
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
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CID 155963766
(3,5-dimethyl-1H-pyrazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205635
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CID 119183261
N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 94812810
5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42098299
N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95304598
3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide (CID 131907519) is N-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)NCC2CCCN(C(=O)c3n[nH]c(C)c3Cl)C2)c1.
What is the InChIKey of N-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is KTZUFWXFURALQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN6O2/c1-12-8-21-25(10-12)7-5-15(26)20-9-14-4-3-6-24(11-14)18(27)17-16(19)13(2)22-23-17/h8,10,14H,3-7,9,11H2,1-2H3,(H,20,26)(H,22,23).
What are the key properties of N-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide?
N-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 392.89 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 131907519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).