2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(2-methylpyrazol-3-yl)benzamide

C19H24ClN3O2 — CID 69054063

IUPAC2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(2-methylpyrazol-3-yl)benzamide
SMILESCn1nccc1-c1ccc(Cl)c(C(=O)NC(O)C2CCCCCC2)c1
InChIInChI=1S/C19H24ClN3O2/c1-23-17(10-11-21-23)14-8-9-16(20)15(12-14)19(25)22-18(24)13-6-4-2-3-5-7-13/h8-13,18,24H,2-7H2,1H3,(H,22,25)
InChIKeyTZFNNPHDETWDLB-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.76
Rot. Bonds4

About 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(2-methylpyrazol-3-yl)benzamide

2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(2-methylpyrazol-3-yl)benzamide (PubChem CID 69054063) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(2-methylpyrazol-3-yl)benzamide
PubChem CID69054063
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(2-methylpyrazol-3-yl)benzamide
SMILESCn1nccc1-c1ccc(Cl)c(C(=O)NC(O)C2CCCCCC2)c1
InChIInChI=1S/C19H24ClN3O2/c1-23-17(10-11-21-23)14-8-9-16(20)15(12-14)19(25)22-18(24)13-6-4-2-3-5-7-13/h8-13,18,24H,2-7H2,1H3,(H,22,25)
InChIKeyTZFNNPHDETWDLB-UHFFFAOYSA-N
XLogP3.76
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 18438628
2-[3-[4-chloro-3-[[cycloheptyl(hydroxy)methyl]carbamoyl]phenyl]-5-methylpyrazol-1-yl]acetic acid
CID 18438701
5-[1-(3-amino-2-hydroxy-2-methylpropyl)-5-methylpyrazol-3-yl]-2-chloro-N-[cyclooctyl(hydroxy)methyl]benzamide
CID 18438636
5-[1-(3-amino-2-hydroxypropyl)-5-methylpyrazol-3-yl]-2-chloro-N-[cycloheptyl(hydroxy)methyl]benzamide;hydrochloride
CID 18438702
2-chloro-N-[cyclohexyl(hydroxy)methyl]-5-(3-methyl-5-oxo-4H-1,2,4-triazol-1-yl)benzamide
CID 135714879
2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-5-methylpyrazol-3-yl]benzamide
CID 67308227
2-chloro-N-[cyclooctyl(hydroxy)methyl]-5-[4-(2-hydroxyethyl)-3,5-dioxo-1,2,4-triazin-2-yl]benzamide
CID 22267530
5-(3,4-dichlorophenyl)-1-methylpyrazole
CID 71232464
2-chloro-5-[(2-chloropyrimidin-4-yl)-propan-2-ylamino]-N-[cyclohexyl(hydroxy)methyl]benzamide
CID 88922633
2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[4-[2-(methylamino)-2-oxoethyl]-3,5-dioxo-1,2,4-triazin-2-yl]benzamide
CID 22267492
2-chloro-5-[4-(cyanomethyl)-5-oxo-1,2,4-triazol-1-yl]-N-[cycloheptyl(hydroxy)methyl]benzamide
CID 22041704
5-[4-(2-amino-2-oxoethyl)-3,5-dioxo-1,2,4-triazin-2-yl]-2-chloro-N-[cycloheptyl(hydroxy)methyl]benzamide
CID 22267538

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(2-methylpyrazol-3-yl)benzamide (CID 69054063) is 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(2-methylpyrazol-3-yl)benzamide is Cn1nccc1-c1ccc(Cl)c(C(=O)NC(O)C2CCCCCC2)c1.
What is the InChIKey of 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is TZFNNPHDETWDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-23-17(10-11-21-23)14-8-9-16(20)15(12-14)19(25)22-18(24)13-6-4-2-3-5-7-13/h8-13,18,24H,2-7H2,1H3,(H,22,25).
What are the key properties of 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(2-methylpyrazol-3-yl)benzamide?
2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 361.87 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 69054063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).