3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C15H16ClN3O2 — CID 56702352

IUPAC3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CN(C(=O)c2ccc(O)c(Cl)c2)C2CC2)cn1
InChIInChI=1S/C15H16ClN3O2/c1-18-8-10(7-17-18)9-19(12-3-4-12)15(21)11-2-5-14(20)13(16)6-11/h2,5-8,12,20H,3-4,9H2,1H3
InChIKeyDCEKOYSQHREQQL-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.58
Rot. Bonds4

About 3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide

3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 56702352) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID56702352
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CN(C(=O)c2ccc(O)c(Cl)c2)C2CC2)cn1
InChIInChI=1S/C15H16ClN3O2/c1-18-8-10(7-17-18)9-19(12-3-4-12)15(21)11-2-5-14(20)13(16)6-11/h2,5-8,12,20H,3-4,9H2,1H3
InChIKeyDCEKOYSQHREQQL-UHFFFAOYSA-N
XLogP2.58
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 56744170
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91762125
3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 47291440
3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide
CID 43270676
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 166280015
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 166280018
N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 78851238
3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid
CID 60826765
3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 72929949
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024531
1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 122565755

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 56702352) is 3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cn1cc(CN(C(=O)c2ccc(O)c(Cl)c2)C2CC2)cn1.
What is the InChIKey of 3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is DCEKOYSQHREQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-18-8-10(7-17-18)9-19(12-3-4-12)15(21)11-2-5-14(20)13(16)6-11/h2,5-8,12,20H,3-4,9H2,1H3.
What are the key properties of 3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 305.77 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 56702352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).