[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone

C16H24N6O — CID 154768094

IUPAC[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3[nH]ncc3N)C2)nn1C(C)(C)C
InChIInChI=1S/C16H24N6O/c1-10-7-13(20-22(10)16(2,3)4)15(23)21-6-5-11(9-21)14-12(17)8-18-19-14/h7-8,11H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyMGKGYCXWSDWRTO-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.88
Rot. Bonds2

About [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone

[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone (PubChem CID 154768094) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone
PubChem CID154768094
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3[nH]ncc3N)C2)nn1C(C)(C)C
InChIInChI=1S/C16H24N6O/c1-10-7-13(20-22(10)16(2,3)4)15(23)21-6-5-11(9-21)14-12(17)8-18-19-14/h7-8,11H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyMGKGYCXWSDWRTO-UHFFFAOYSA-N
XLogP1.88
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone 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-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124694981
[3-(azepan-1-yl)piperidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone
CID 56783509
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 53499150
1-[4-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56816616
[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone
CID 154789366
[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone
CID 154785572
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125000271
1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 154787522
(3,5-difluorophenyl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124977219
(6-methyl-2-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124972501
1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 154783622
(E)-1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)but-2-en-1-one
CID 167980851

Frequently Asked Questions

What is the IUPAC name of [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone (CID 154768094) is [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(c3[nH]ncc3N)C2)nn1C(C)(C)C.
What is the InChIKey of [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone?
The InChIKey is MGKGYCXWSDWRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-10-7-13(20-22(10)16(2,3)4)15(23)21-6-5-11(9-21)14-12(17)8-18-19-14/h7-8,11H,5-6,9,17H2,1-4H3,(H,18,19).
What are the key properties of [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone?
[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone has a molecular weight of 316.41 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 154768094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).