5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine

C14H19ClN4 — CID 66029529

IUPAC5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCc1ccccc1Cl
InChIInChI=1S/C14H19ClN4/c1-3-8-19-14(13(16)10(2)18-19)17-9-11-6-4-5-7-12(11)15/h4-7,17H,3,8-9,16H2,1-2H3
InChIKeyROUOAMNSSMPTTI-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.45
Rot. Bonds5

About 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine

5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine (PubChem CID 66029529) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
PubChem CID66029529
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCc1ccccc1Cl
InChIInChI=1S/C14H19ClN4/c1-3-8-19-14(13(16)10(2)18-19)17-9-11-6-4-5-7-12(11)15/h4-7,17H,3,8-9,16H2,1-2H3
InChIKeyROUOAMNSSMPTTI-UHFFFAOYSA-N
XLogP3.45
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027142
5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027996
5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027410
3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 66029585
3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine
CID 66027834
3-methyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 106369784
3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine
CID 66027987
5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029181
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol
CID 105057764
4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114432195
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 43445326
2-[(2-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 63276587

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine (CID 66029529) is 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1NCc1ccccc1Cl.
What is the InChIKey of 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine?
The InChIKey is ROUOAMNSSMPTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-3-8-19-14(13(16)10(2)18-19)17-9-11-6-4-5-7-12(11)15/h4-7,17H,3,8-9,16H2,1-2H3.
What are the key properties of 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine?
5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine has a molecular weight of 278.79 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66029529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).