N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide

C15H14ClN3O2 — CID 166430668

IUPACN-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide
SMILESCOc1ccc(Cl)cc1-c1cc(NC(=O)C23CC2C3)n[nH]1
InChIInChI=1S/C15H14ClN3O2/c1-21-12-3-2-9(16)4-10(12)11-5-13(19-18-11)17-14(20)15-6-8(15)7-15/h2-5,8H,6-7H2,1H3,(H2,17,18,19,20)
InChIKeySYHLWLQDPNOBAO-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.09
Rot. Bonds4

About N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide

N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 166430668) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide
PubChem CID166430668
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide
SMILESCOc1ccc(Cl)cc1-c1cc(NC(=O)C23CC2C3)n[nH]1
InChIInChI=1S/C15H14ClN3O2/c1-21-12-3-2-9(16)4-10(12)11-5-13(19-18-11)17-14(20)15-6-8(15)7-15/h2-5,8H,6-7H2,1H3,(H2,17,18,19,20)
InChIKeySYHLWLQDPNOBAO-UHFFFAOYSA-N
XLogP3.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide with MolForge

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Related Compounds

(2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 95280930
N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide
CID 126837003
1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 56552765
(2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 52792045
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
CID 107001706
(2S)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide
CID 7982286
3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741
1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113033853
5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
CID 116879411
methyl N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 97211863
N-[[6-(5-chloro-2-methoxyphenyl)-3-pyridinyl]methyl]acetamide
CID 74243787

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide (CID 166430668) is N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide is COc1ccc(Cl)cc1-c1cc(NC(=O)C23CC2C3)n[nH]1.
What is the InChIKey of N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is SYHLWLQDPNOBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-21-12-3-2-9(16)4-10(12)11-5-13(19-18-11)17-14(20)15-6-8(15)7-15/h2-5,8H,6-7H2,1H3,(H2,17,18,19,20).
What are the key properties of N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide?
N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 166430668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).