(3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

C18H21N5O2 — CID 93069495

IUPAC(3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1
InChIInChI=1S/C18H21N5O2/c24-17(20-14-5-6-14)13-4-2-8-23(11-13)18(25)16-9-15(21-22-16)12-3-1-7-19-10-12/h1,3,7,9-10,13-14H,2,4-6,8,11H2,(H,20,24)(H,21,22)/t13-/m1/s1
InChIKeyREXXZNMHBGTNAD-CYBMUJFWSA-N
MW339.40 g/mol
LogP1.60
Rot. Bonds4

About (3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

(3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 93069495) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
PubChem CID93069495
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1
InChIInChI=1S/C18H21N5O2/c24-17(20-14-5-6-14)13-4-2-8-23(11-13)18(25)16-9-15(21-22-16)12-3-1-7-19-10-12/h1,3,7,9-10,13-14H,2,4-6,8,11H2,(H,20,24)(H,21,22)/t13-/m1/s1
InChIKeyREXXZNMHBGTNAD-CYBMUJFWSA-N
XLogP1.60
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 94080403
N-cyclopentyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087604
(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069459
(3S)-N-cyclopropyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892702
(3S)-N-[(4-fluorophenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069498
N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 53087666
N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 53087698
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 53008268
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
CID 93059395
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
CID 93069503
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
CID 93069490
[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 125003762

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (CID 93069495) is (3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1.
What is the InChIKey of (3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is REXXZNMHBGTNAD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17(20-14-5-6-14)13-4-2-8-23(11-13)18(25)16-9-15(21-22-16)12-3-1-7-19-10-12/h1,3,7,9-10,13-14H,2,4-6,8,11H2,(H,20,24)(H,21,22)/t13-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 93069495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).