5-chloro-1-ethyl-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide

C12H19ClN4O — CID 124613979

IUPAC5-chloro-1-ethyl-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)N(C)[C@H]2CCNC2)c1Cl
InChIInChI=1S/C12H19ClN4O/c1-4-17-11(13)10(8(2)15-17)12(18)16(3)9-5-6-14-7-9/h9,14H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyITRDGUYVDFFBDL-VIFPVBQESA-N
MW270.76 g/mol
LogP1.30
Rot. Bonds3

About 5-chloro-1-ethyl-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide

5-chloro-1-ethyl-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide (PubChem CID 124613979) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-chloro-1-ethyl-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-ethyl-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
PubChem CID124613979
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name5-chloro-1-ethyl-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)N(C)[C@H]2CCNC2)c1Cl
InChIInChI=1S/C12H19ClN4O/c1-4-17-11(13)10(8(2)15-17)12(18)16(3)9-5-6-14-7-9/h9,14H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyITRDGUYVDFFBDL-VIFPVBQESA-N
XLogP1.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,5-trimethyl-N-pyrrolidin-3-yl-1,2-oxazole-4-carboxamide
CID 63297742
1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide
CID 55469052
1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119551871
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248
2-(3-chlorophenyl)-N,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]triazole-4-carboxamide
CID 124613688
2-(3-chlorophenyl)-N,5-dimethyl-N-[(3R)-pyrrolidin-3-yl]triazole-4-carboxamide
CID 124613687
5-chloro-N-(1,1-dioxothiolan-3-yl)-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18268559
N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 104974422
2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82815007
(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 124590611
2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119550121

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-ethyl-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide (CID 124613979) is 5-chloro-1-ethyl-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-ethyl-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-ethyl-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide is CCn1nc(C)c(C(=O)N(C)[C@H]2CCNC2)c1Cl.
What is the InChIKey of 5-chloro-1-ethyl-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is ITRDGUYVDFFBDL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-4-17-11(13)10(8(2)15-17)12(18)16(3)9-5-6-14-7-9/h9,14H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of 5-chloro-1-ethyl-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide?
5-chloro-1-ethyl-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 124613979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).