(3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide

C16H26N4O2 — CID 97136755

IUPAC(3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C16H26N4O2/c1-4-20-14(9-13(18-20)8-11(2)3)16(22)19-7-5-6-12(10-19)15(17)21/h9,11-12H,4-8,10H2,1-3H3,(H2,17,21)/t12-/m1/s1
InChIKeyOZEQTTTUUJZIAQ-GFCCVEGCSA-N
MW306.41 g/mol
LogP1.44
Rot. Bonds5

About (3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide

(3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide (PubChem CID 97136755) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide
PubChem CID97136755
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C16H26N4O2/c1-4-20-14(9-13(18-20)8-11(2)3)16(22)19-7-5-6-12(10-19)15(17)21/h9,11-12H,4-8,10H2,1-3H3,(H2,17,21)/t12-/m1/s1
InChIKeyOZEQTTTUUJZIAQ-GFCCVEGCSA-N
XLogP1.44
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56755087
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216
azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 97116000
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 74238983
[(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 125161347
(2S,4S)-4-amino-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 70770502
(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 157016753
(2,5-difluorophenyl)-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]methanone
CID 24790323
(3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone
CID 117218466
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 72878455

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide (CID 97136755) is (3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide is CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@@H](C(N)=O)C1.
What is the InChIKey of (3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide?
The InChIKey is OZEQTTTUUJZIAQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-20-14(9-13(18-20)8-11(2)3)16(22)19-7-5-6-12(10-19)15(17)21/h9,11-12H,4-8,10H2,1-3H3,(H2,17,21)/t12-/m1/s1.
What are the key properties of (3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide?
(3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 97136755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).