1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide

C18H32N4O — CID 95377906

IUPAC1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCN(C(C)C)C2)nn1C(C)(C)C
InChIInChI=1S/C18H32N4O/c1-12(2)16-10-15(20-22(16)18(5,6)7)17(23)19-14-8-9-21(11-14)13(3)4/h10,12-14H,8-9,11H2,1-7H3,(H,19,23)/t14-/m1/s1
InChIKeyVSAIETLKJFHJIA-CQSZACIVSA-N
MW320.48 g/mol
LogP2.97
Rot. Bonds4

About 1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide

1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide (PubChem CID 95377906) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
PubChem CID95377906
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCN(C(C)C)C2)nn1C(C)(C)C
InChIInChI=1S/C18H32N4O/c1-12(2)16-10-15(20-22(16)18(5,6)7)17(23)19-14-8-9-21(11-14)13(3)4/h10,12-14H,8-9,11H2,1-7H3,(H,19,23)/t14-/m1/s1
InChIKeyVSAIETLKJFHJIA-CQSZACIVSA-N
XLogP2.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide
CID 110895136
1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide
CID 86965624
5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 170089470
1-tert-butyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-3-carboxamide
CID 120812919
1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide
CID 110000703
(1-propan-2-ylpyrrolidin-3-yl)urea
CID 72571919
1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 110008342
1-tert-butyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 120946536
1-tert-butyl-5-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide
CID 55930523
2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 126988298
1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 46490232
1-tert-butyl-N-[(4-hydroxyoxan-4-yl)methyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 111486221

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide (CID 95377906) is 1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide is CC(C)c1cc(C(=O)N[C@@H]2CCN(C(C)C)C2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is VSAIETLKJFHJIA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H32N4O/c1-12(2)16-10-15(20-22(16)18(5,6)7)17(23)19-14-8-9-21(11-14)13(3)4/h10,12-14H,8-9,11H2,1-7H3,(H,19,23)/t14-/m1/s1.
What are the key properties of 1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide?
1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 95377906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).