2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide

C17H24N6O — CID 126423858

IUPAC2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
SMILESO=C(Cn1ccc([C@H]2CCCNC2)n1)NCc1n[nH]c2c1CCC2
InChIInChI=1S/C17H24N6O/c24-17(19-10-16-13-4-1-5-15(13)20-21-16)11-23-8-6-14(22-23)12-3-2-7-18-9-12/h6,8,12,18H,1-5,7,9-11H2,(H,19,24)(H,20,21)/t12-/m0/s1
InChIKeyUCMQUACXJUPNSG-LBPRGKRZSA-N
MW328.42 g/mol
LogP0.88
Rot. Bonds5

About 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide

2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide (PubChem CID 126423858) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
PubChem CID126423858
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
SMILESO=C(Cn1ccc([C@H]2CCCNC2)n1)NCc1n[nH]c2c1CCC2
InChIInChI=1S/C17H24N6O/c24-17(19-10-16-13-4-1-5-15(13)20-21-16)11-23-8-6-14(22-23)12-3-2-7-18-9-12/h6,8,12,18H,1-5,7,9-11H2,(H,19,24)(H,20,21)/t12-/m0/s1
InChIKeyUCMQUACXJUPNSG-LBPRGKRZSA-N
XLogP0.88
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride
CID 154903804
N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126426695
2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 119059529
N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126431927
N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119068979
N-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126442555
N-(oxan-4-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126440551
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 126454178
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119068274
N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119072989
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119069734
N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428514

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The IUPAC name of 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide (CID 126423858) is 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide is O=C(Cn1ccc([C@H]2CCCNC2)n1)NCc1n[nH]c2c1CCC2.
What is the InChIKey of 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The InChIKey is UCMQUACXJUPNSG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N6O/c24-17(19-10-16-13-4-1-5-15(13)20-21-16)11-23-8-6-14(22-23)12-3-2-7-18-9-12/h6,8,12,18H,1-5,7,9-11H2,(H,19,24)(H,20,21)/t12-/m0/s1.
What are the key properties of 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide has a molecular weight of 328.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide is sourced from PubChem (CID 126423858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).