N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-ethylpyrazole-3-carboxamide

C13H22N4O — CID 138035092

IUPACN-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N[C@@H]2CCC[C@H]2N(C)C)n1
InChIInChI=1S/C13H22N4O/c1-4-17-9-8-11(15-17)13(18)14-10-6-5-7-12(10)16(2)3/h8-10,12H,4-7H2,1-3H3,(H,14,18)/t10-,12-/m1/s1
InChIKeyQVUGHOMZOHHHOC-ZYHUDNBSSA-N
MW250.35 g/mol
LogP1.12
Rot. Bonds4

About N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-ethylpyrazole-3-carboxamide

N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-ethylpyrazole-3-carboxamide (PubChem CID 138035092) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-ethylpyrazole-3-carboxamide
PubChem CID138035092
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N[C@@H]2CCC[C@H]2N(C)C)n1
InChIInChI=1S/C13H22N4O/c1-4-17-9-8-11(15-17)13(18)14-10-6-5-7-12(10)16(2)3/h8-10,12H,4-7H2,1-3H3,(H,14,18)/t10-,12-/m1/s1
InChIKeyQVUGHOMZOHHHOC-ZYHUDNBSSA-N
XLogP1.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N-(2-cyano-1-cyclopentenyl)-1-ethyl-3-pyrazolecarboxamide
CID 891902
N-methyl-3-(1-piperidinylcarbonyl)-1H-pyrazole-1-carboxamide
CID 874546
N-(2-cyano-1-cyclopenten-1-yl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 841930
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-3-carboxamide
CID 137049042
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
(8aR,11aS)-1-(2-ethylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201569
N-[(1-cyclopentyl-3-piperidinyl)methyl]-1-methyl-N-[2-(1-piperidinyl)ethyl]-1H-pyrazole-5-carboxamide
CID 24819489

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-ethylpyrazole-3-carboxamide (CID 138035092) is N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)N[C@@H]2CCC[C@H]2N(C)C)n1.
What is the InChIKey of N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is QVUGHOMZOHHHOC-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-17-9-8-11(15-17)13(18)14-10-6-5-7-12(10)16(2)3/h8-10,12H,4-7H2,1-3H3,(H,14,18)/t10-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-ethylpyrazole-3-carboxamide?
N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 138035092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).