(4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone

C21H23N5O — CID 166215037

IUPAC(4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)N1CCC(Nc2cccnc2)CC1
InChIInChI=1S/C21H23N5O/c1-15-19(16-6-3-2-4-7-16)24-25-20(15)21(27)26-12-9-17(10-13-26)23-18-8-5-11-22-14-18/h2-8,11,14,17,23H,9-10,12-13H2,1H3,(H,24,25)
InChIKeyNRQKMKBQJCTGRT-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.50
Rot. Bonds4

About (4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone

(4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone (PubChem CID 166215037) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone
PubChem CID166215037
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)N1CCC(Nc2cccnc2)CC1
InChIInChI=1S/C21H23N5O/c1-15-19(16-6-3-2-4-7-16)24-25-20(15)21(27)26-12-9-17(10-13-26)23-18-8-5-11-22-14-18/h2-8,11,14,17,23H,9-10,12-13H2,1H3,(H,24,25)
InChIKeyNRQKMKBQJCTGRT-UHFFFAOYSA-N
XLogP3.50
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185412
N-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 74232670
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
(2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107411
pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107441
tert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate
CID 22499476
(1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185393
(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 95107540
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
N-cyclopropylpyridin-3-amine
CID 11297993
(4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride
CID 119376856
(2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107427

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone (CID 166215037) is (4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone is Cc1c(-c2ccccc2)n[nH]c1C(=O)N1CCC(Nc2cccnc2)CC1.
What is the InChIKey of (4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone?
The InChIKey is NRQKMKBQJCTGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-19(16-6-3-2-4-7-16)24-25-20(15)21(27)26-12-9-17(10-13-26)23-18-8-5-11-22-14-18/h2-8,11,14,17,23H,9-10,12-13H2,1H3,(H,24,25).
What are the key properties of (4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone?
(4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 166215037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).