N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide

C14H16Cl2N4O — CID 119630624

IUPACN-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
SMILESCC(C)(N)CNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H16Cl2N4O/c1-14(2,17)8-18-13(21)9-6-19-20(7-9)12-4-3-10(15)5-11(12)16/h3-7H,8,17H2,1-2H3,(H,18,21)
InChIKeyYDNZJANPNJHLNT-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.65
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide

N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide (PubChem CID 119630624) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
PubChem CID119630624
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC NameN-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
SMILESCC(C)(N)CNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H16Cl2N4O/c1-14(2,17)8-18-13(21)9-6-19-20(7-9)12-4-3-10(15)5-11(12)16/h3-7H,8,17H2,1-2H3,(H,18,21)
InChIKeyYDNZJANPNJHLNT-UHFFFAOYSA-N
XLogP2.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide
CID 167952862
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119608974
5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 119234355
N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide
CID 56819330
1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947316
1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119514691
1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-N-methylpyrazole-4-carboxamide
CID 110903813
1-(2,4-dichlorophenyl)-N-[4-[(S)-methylsulfinyl]phenyl]pyrazole-4-carboxamide
CID 99817151
1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
CID 68934305
2-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 154863010
N-(2-amino-2-methylpropyl)-1-ethylpyrazole-4-carboxamide
CID 119627511
1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119559418

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide (CID 119630624) is N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide is CC(C)(N)CNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide?
The InChIKey is YDNZJANPNJHLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-14(2,17)8-18-13(21)9-6-19-20(7-9)12-4-3-10(15)5-11(12)16/h3-7H,8,17H2,1-2H3,(H,18,21).
What are the key properties of N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide?
N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119630624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).