1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine

C13H17ClN4 — CID 63318510

IUPAC1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine
SMILESCN(CCn1ccc(N)n1)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN4/c1-17(8-9-18-7-6-13(15)16-18)10-11-2-4-12(14)5-3-11/h2-7H,8-10H2,1H3,(H2,15,16)
InChIKeyPWFDYTDIKMDPJR-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.25
Rot. Bonds5

About 1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine

1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine (PubChem CID 63318510) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine
PubChem CID63318510
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine
SMILESCN(CCn1ccc(N)n1)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN4/c1-17(8-9-18-7-6-13(15)16-18)10-11-2-4-12(14)5-3-11/h2-7H,8-10H2,1H3,(H2,15,16)
InChIKeyPWFDYTDIKMDPJR-UHFFFAOYSA-N
XLogP2.25
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine (CID 63318510) is 1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine is CN(CCn1ccc(N)n1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine?
The InChIKey is PWFDYTDIKMDPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-17(8-9-18-7-6-13(15)16-18)10-11-2-4-12(14)5-3-11/h2-7H,8-10H2,1H3,(H2,15,16).
What are the key properties of 1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine?
1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine has a molecular weight of 264.76 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine is sourced from PubChem (CID 63318510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).