3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride

C14H17Cl3N4O — CID 120874135

IUPAC3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride
SMILESCc1cc(NC(=O)CC(C)N)nn1-c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H16Cl2N4O.ClH/c1-8(17)5-14(21)18-13-6-9(2)20(19-13)10-3-4-11(15)12(16)7-10;/h3-4,6-8H,5,17H2,1-2H3,(H,18,19,21);1H
InChIKeyRSZWVRRFBHNEQO-UHFFFAOYSA-N
MW363.68 g/mol
LogP3.59
Rot. Bonds4

About 3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride

3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride (PubChem CID 120874135) has the molecular formula C14H17Cl3N4O and a molecular weight of 363.68 g/mol. Its IUPAC name is 3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride
PubChem CID120874135
Molecular FormulaC14H17Cl3N4O
Molecular Weight363.68 g/mol
Exact Mass362.05
IUPAC Name3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride
SMILESCc1cc(NC(=O)CC(C)N)nn1-c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H16Cl2N4O.ClH/c1-8(17)5-14(21)18-13-6-9(2)20(19-13)10-3-4-11(15)12(16)7-10;/h3-4,6-8H,5,17H2,1-2H3,(H,18,19,21);1H
InChIKeyRSZWVRRFBHNEQO-UHFFFAOYSA-N
XLogP3.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.68
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 46107900
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide
CID 87708538
3-amino-N-(4-methyl-2-pyridinyl)butanamide
CID 83618224
9H-fluoren-9-ylmethyl 4-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166353979
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide
CID 54862473
3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride
CID 12546926
1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide
CID 99611243
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
2-[[1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]amino]-2-methylbutanoic acid
CID 120518481
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide
CID 46107110
2-[[1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
CID 120520399

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride (CID 120874135) is 3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride is Cc1cc(NC(=O)CC(C)N)nn1-c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride?
The InChIKey is RSZWVRRFBHNEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O.ClH/c1-8(17)5-14(21)18-13-6-9(2)20(19-13)10-3-4-11(15)12(16)7-10;/h3-4,6-8H,5,17H2,1-2H3,(H,18,19,21);1H.
What are the key properties of 3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride?
3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride has a molecular weight of 363.68 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride is sourced from PubChem (CID 120874135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).