5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide

C17H20ClN3O — CID 24652393

IUPAC5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C17H20ClN3O/c1-12-14(15(18)21(2)20-12)16(22)19-11-17(9-6-10-17)13-7-4-3-5-8-13/h3-5,7-8H,6,9-11H2,1-2H3,(H,19,22)
InChIKeyBBLSTNARRRKICQ-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.23
Rot. Bonds4

About 5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide

5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide (PubChem CID 24652393) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide
PubChem CID24652393
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C17H20ClN3O/c1-12-14(15(18)21(2)20-12)16(22)19-11-17(9-6-10-17)13-7-4-3-5-8-13/h3-5,7-8H,6,9-11H2,1-2H3,(H,19,22)
InChIKeyBBLSTNARRRKICQ-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42462339
5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 52556515
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 37025261
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622625
N-[(1-phenylcyclopropyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880151
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135
5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 51312965
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide
CID 91960181
1-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362336
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 118790232
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide (CID 24652393) is 5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide is Cc1nn(C)c(Cl)c1C(=O)NCC1(c2ccccc2)CCC1.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide?
The InChIKey is BBLSTNARRRKICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12-14(15(18)21(2)20-12)16(22)19-11-17(9-6-10-17)13-7-4-3-5-8-13/h3-5,7-8H,6,9-11H2,1-2H3,(H,19,22).
What are the key properties of 5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide?
5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 24652393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).