N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C18H24N6O2 — CID 155874619

IUPACN-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCn1ccc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)n1
InChIInChI=1S/C18H24N6O2/c1-22-10-5-15(21-22)16(25)23-11-6-18(7-12-23,24-9-2-8-20-24)17(26)19-13-14-3-4-14/h2,5,8-10,14H,3-4,6-7,11-13H2,1H3,(H,19,26)
InChIKeyAANPXKGPCIBOCL-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.77
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 155874619) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID155874619
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCn1ccc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)n1
InChIInChI=1S/C18H24N6O2/c1-22-10-5-15(21-22)16(25)23-11-6-18(7-12-23,24-9-2-8-20-24)17(26)19-13-14-3-4-14/h2,5,8-10,14H,3-4,6-7,11-13H2,1H3,(H,19,26)
InChIKeyAANPXKGPCIBOCL-UHFFFAOYSA-N
XLogP0.77
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 155874544
N-(cyclopropylmethyl)-1-(2-methylpropanoyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155875754
1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155875526
N-(cyclopropylmethyl)-1-methylsulfonyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874326
1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874120
N-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid
CID 155879875
1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874366
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
CID 133142265
1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155874211
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115889
formic acid;1-(2-methoxyacetyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874628
[3-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122381

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 155874619) is N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is Cn1ccc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is AANPXKGPCIBOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-22-10-5-15(21-22)16(25)23-11-6-18(7-12-23,24-9-2-8-20-24)17(26)19-13-14-3-4-14/h2,5,8-10,14H,3-4,6-7,11-13H2,1H3,(H,19,26).
What are the key properties of N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 155874619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).