N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

C14H15Cl2N3O — CID 19510030

IUPACN-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C14H15Cl2N3O/c1-3-8(2)17-14(20)13-7-12(18-19-13)10-5-4-9(15)6-11(10)16/h4-8H,3H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyIDJJBLNJEPMAHN-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.91
Rot. Bonds4

About N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19510030) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19510030
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC NameN-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C14H15Cl2N3O/c1-3-8(2)17-14(20)13-7-12(18-19-13)10-5-4-9(15)6-11(10)16/h4-8H,3H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyIDJJBLNJEPMAHN-UHFFFAOYSA-N
XLogP3.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19510017
3-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-5-carboxamide
CID 91639398
3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide
CID 19510016
3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
CID 78860717
3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 19510063
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 78861611
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972
3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 64524201
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 6083366
3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 19510028
2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid
CID 119211443
3-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 3438135

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (CID 19510030) is N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is CCC(C)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is IDJJBLNJEPMAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-3-8(2)17-14(20)13-7-12(18-19-13)10-5-4-9(15)6-11(10)16/h4-8H,3H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 312.20 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).