(3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone

C11H18N4O — CID 63218734

IUPAC(3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCc1[nH]nc(N)c1C(=O)N1CCCC1(C)C
InChIInChI=1S/C11H18N4O/c1-7-8(9(12)14-13-7)10(16)15-6-4-5-11(15,2)3/h4-6H2,1-3H3,(H3,12,13,14)
InChIKeyDJTLJXKTODYBOD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.31
Rot. Bonds1

About (3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone

(3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone (PubChem CID 63218734) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
PubChem CID63218734
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCc1[nH]nc(N)c1C(=O)N1CCCC1(C)C
InChIInChI=1S/C11H18N4O/c1-7-8(9(12)14-13-7)10(16)15-6-4-5-11(15,2)3/h4-6H2,1-3H3,(H3,12,13,14)
InChIKeyDJTLJXKTODYBOD-UHFFFAOYSA-N
XLogP1.31
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N,3-dimethyl-1H-pyrazole-4-carboxamide
CID 43159399
3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60890845
3-amino-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 61607403
3-amino-N-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 61607512
3-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 61607514
3-amino-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 61607553
(3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 62971795
3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
CID 63227915
3-amino-N,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
CID 65531809
(3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 65532004
(3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65532199
3-amino-5-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide
CID 105943350

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone (CID 63218734) is (3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone is Cc1[nH]nc(N)c1C(=O)N1CCCC1(C)C.
What is the InChIKey of (3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is DJTLJXKTODYBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-8(9(12)14-13-7)10(16)15-6-4-5-11(15,2)3/h4-6H2,1-3H3,(H3,12,13,14).
What are the key properties of (3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
(3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63218734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).