N-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide

C21H28N6O — CID 75474232

IUPACN-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cn[nH]c1C1CCCN(c2ccnc(C3CC3)n2)C1)C1CCCC1
InChIInChI=1S/C21H28N6O/c28-21(15-4-1-2-5-15)24-17-12-23-26-19(17)16-6-3-11-27(13-16)18-9-10-22-20(25-18)14-7-8-14/h9-10,12,14-16H,1-8,11,13H2,(H,23,26)(H,24,28)
InChIKeyOPOFDRAGRSLTMD-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.59
Rot. Bonds5

About N-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide

N-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 75474232) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID75474232
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC NameN-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cn[nH]c1C1CCCN(c2ccnc(C3CC3)n2)C1)C1CCCC1
InChIInChI=1S/C21H28N6O/c28-21(15-4-1-2-5-15)24-17-12-23-26-19(17)16-6-3-11-27(13-16)18-9-10-22-20(25-18)14-7-8-14/h9-10,12,14-16H,1-8,11,13H2,(H,23,26)(H,24,28)
InChIKeyOPOFDRAGRSLTMD-UHFFFAOYSA-N
XLogP3.59
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 97343986
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CID 97343980
N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343982
N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97344701
N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97344709
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N-[5-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 136521649
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357564
N-(5-cyclopropyl-1H-pyrazol-4-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 126834655
4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343961
N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (CID 75474232) is N-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is O=C(Nc1cn[nH]c1C1CCCN(c2ccnc(C3CC3)n2)C1)C1CCCC1.
What is the InChIKey of N-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is OPOFDRAGRSLTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c28-21(15-4-1-2-5-15)24-17-12-23-26-19(17)16-6-3-11-27(13-16)18-9-10-22-20(25-18)14-7-8-14/h9-10,12,14-16H,1-8,11,13H2,(H,23,26)(H,24,28).
What are the key properties of N-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
N-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 380.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 75474232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).