4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide

C14H18ClN5O — CID 95562906

IUPAC4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)N[C@H](c1nccn1C)C1CC1
InChIInChI=1S/C14H18ClN5O/c1-3-20-12(10(15)8-17-20)14(21)18-11(9-4-5-9)13-16-6-7-19(13)2/h6-9,11H,3-5H2,1-2H3,(H,18,21)/t11-/m0/s1
InChIKeyXHIBKOKKPFHRTH-NSHDSACASA-N
MW307.79 g/mol
LogP2.17
Rot. Bonds5

About 4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide

4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide (PubChem CID 95562906) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide
PubChem CID95562906
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)N[C@H](c1nccn1C)C1CC1
InChIInChI=1S/C14H18ClN5O/c1-3-20-12(10(15)8-17-20)14(21)18-11(9-4-5-9)13-16-6-7-19(13)2/h6-9,11H,3-5H2,1-2H3,(H,18,21)/t11-/m0/s1
InChIKeyXHIBKOKKPFHRTH-NSHDSACASA-N
XLogP2.17
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 125156741
1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide
CID 154736963
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91794163
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125440909
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125445823
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 122569754
4-ethyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487085
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide
CID 128988052
2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
CID 124754507
3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 126427323
3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 95559023

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide (CID 95562906) is 4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)N[C@H](c1nccn1C)C1CC1.
What is the InChIKey of 4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide?
The InChIKey is XHIBKOKKPFHRTH-NSHDSACASA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-3-20-12(10(15)8-17-20)14(21)18-11(9-4-5-9)13-16-6-7-19(13)2/h6-9,11H,3-5H2,1-2H3,(H,18,21)/t11-/m0/s1.
What are the key properties of 4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide?
4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 307.79 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 95562906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).