[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C17H25N5O — CID 127247275

IUPAC[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCCCC2c2ccn[nH]2)n(C)n1
InChIInChI=1S/C17H25N5O/c1-12(2)10-13-11-16(21(3)20-13)17(23)22-9-5-4-6-15(22)14-7-8-18-19-14/h7-8,11-12,15H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyQQWLOAJOKPLBDU-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.71
Rot. Bonds4

About [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 127247275) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID127247275
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCCCC2c2ccn[nH]2)n(C)n1
InChIInChI=1S/C17H25N5O/c1-12(2)10-13-11-16(21(3)20-13)17(23)22-9-5-4-6-15(22)14-7-8-18-19-14/h7-8,11-12,15H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyQQWLOAJOKPLBDU-UHFFFAOYSA-N
XLogP2.71
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110120843
2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide
CID 171683354
[(4aS,9aS)-4a,5-dimethyl-2,3,4,6,7,8,9,9a-octahydropyrido[3,2-b]azepin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110141051
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 95136458
[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 124989865
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 110106183
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 70779113
(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 123681411
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124944774
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125002293
(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270861
N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124985015

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 127247275) is [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is CC(C)Cc1cc(C(=O)N2CCCCC2c2ccn[nH]2)n(C)n1.
What is the InChIKey of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is QQWLOAJOKPLBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12(2)10-13-11-16(21(3)20-13)17(23)22-9-5-4-6-15(22)14-7-8-18-19-14/h7-8,11-12,15H,4-6,9-10H2,1-3H3,(H,18,19).
What are the key properties of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 127247275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).