N,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

C13H22N4O — CID 164642054

IUPACN,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(=O)N(C)[C@H]1CCN(C(C)C)C1
InChIInChI=1S/C13H22N4O/c1-9(2)17-6-5-11(8-17)16(4)13(18)12-10(3)7-14-15-12/h7,9,11H,5-6,8H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyKUYJMOOHEZAFBE-NSHDSACASA-N
MW250.35 g/mol
LogP1.27
Rot. Bonds3

About N,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

N,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 164642054) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID164642054
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(=O)N(C)[C@H]1CCN(C(C)C)C1
InChIInChI=1S/C13H22N4O/c1-9(2)17-6-5-11(8-17)16(4)13(18)12-10(3)7-14-15-12/h7,9,11H,5-6,8H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyKUYJMOOHEZAFBE-NSHDSACASA-N
XLogP1.27
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1H-pyrazole-3-carbohydrazide
CID 13405304
4-methyl-1H-pyrazole-3-carboxamide
CID 19376020
4-Methylpyrazole-3-carboxamide hydrochloride
CID 19376019
4,5-Dihydropyrrolo[3,4-c]pyrazol-6(2h)-one
CID 23355440
4-methyl-N-piperidin-1-yl-1H-pyrazole-5-carboxamide
CID 67158791
4-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 72128476
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415
[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97588991
N-ethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 121523792
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126828473
1-propan-2-yl-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 164639211
N-methyl-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 67379171

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (CID 164642054) is N,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is Cc1cn[nH]c1C(=O)N(C)[C@H]1CCN(C(C)C)C1.
What is the InChIKey of N,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is KUYJMOOHEZAFBE-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)17-6-5-11(8-17)16(4)13(18)12-10(3)7-14-15-12/h7,9,11H,5-6,8H2,1-4H3,(H,14,15)/t11-/m0/s1.
What are the key properties of N,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
N,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 164642054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).