N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C17H18ClN5O — CID 55993544

IUPACN-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2cc(Cl)ccc2-n2cccn2)n[nH]1
InChIInChI=1S/C17H18ClN5O/c1-11(2)8-13-10-15(22-21-13)17(24)20-14-9-12(18)4-5-16(14)23-7-3-6-19-23/h3-7,9-11H,8H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyMICMMXVHCFPBEK-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.70
Rot. Bonds5

About N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 55993544) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID55993544
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC NameN-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2cc(Cl)ccc2-n2cccn2)n[nH]1
InChIInChI=1S/C17H18ClN5O/c1-11(2)8-13-10-15(22-21-13)17(24)20-14-9-12(18)4-5-16(14)23-7-3-6-19-23/h3-7,9-11H,8H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyMICMMXVHCFPBEK-UHFFFAOYSA-N
XLogP3.70
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
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CID 55982116
N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741644
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60927204
3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
CID 64523056
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide
CID 60927428
(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide
CID 61179959
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741814
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852915
N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
CID 103515148
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 61062622
5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide
CID 55787212

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 55993544) is N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)Nc2cc(Cl)ccc2-n2cccn2)n[nH]1.
What is the InChIKey of N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is MICMMXVHCFPBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-11(2)8-13-10-15(22-21-13)17(24)20-14-9-12(18)4-5-16(14)23-7-3-6-19-23/h3-7,9-11H,8H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 343.82 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55993544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).