2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide

C21H26ClN3O2 — CID 58818168

IUPAC2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cc(-c2cc(C3CC3)[nH]n2)ccc1Cl
InChIInChI=1S/C21H26ClN3O2/c22-17-8-7-15(19-12-18(24-25-19)14-5-6-14)11-16(17)20(26)23-13-21(27)9-3-1-2-4-10-21/h7-8,11-12,14,27H,1-6,9-10,13H2,(H,23,26)(H,24,25)
InChIKeyHKTCKZIIYPEKQL-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.42
Rot. Bonds5

About 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide

2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide (PubChem CID 58818168) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide
PubChem CID58818168
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cc(-c2cc(C3CC3)[nH]n2)ccc1Cl
InChIInChI=1S/C21H26ClN3O2/c22-17-8-7-15(19-12-18(24-25-19)14-5-6-14)11-16(17)20(26)23-13-21(27)9-3-1-2-4-10-21/h7-8,11-12,14,27H,1-6,9-10,13H2,(H,23,26)(H,24,25)
InChIKeyHKTCKZIIYPEKQL-UHFFFAOYSA-N
XLogP4.42
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide
CID 69059309
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide
CID 46887562
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide
CID 18438675
ethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate
CID 58818183
5-[1-(3-amino-2-hydroxypropyl)-5-methylpyrazol-3-yl]-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide;hydrochloride
CID 69053496
2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927
3-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 66483576
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472
2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 106502468
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide
CID 111459554

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The IUPAC name of 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide (CID 58818168) is 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The canonical SMILES for 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide is O=C(NCC1(O)CCCCCC1)c1cc(-c2cc(C3CC3)[nH]n2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The InChIKey is HKTCKZIIYPEKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c22-17-8-7-15(19-12-18(24-25-19)14-5-6-14)11-16(17)20(26)23-13-21(27)9-3-1-2-4-10-21/h7-8,11-12,14,27H,1-6,9-10,13H2,(H,23,26)(H,24,25).
What are the key properties of 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide has a molecular weight of 387.91 g/mol, XLogP of 4.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide is sourced from PubChem (CID 58818168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).