N-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine

C15H18ClN3 — CID 43635589

IUPACN-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H18ClN3/c1-9-15(10(2)19-18-9)17-14-7-12(8-14)11-3-5-13(16)6-4-11/h3-6,12,14,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyDKHVSMVRXYBEIZ-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.04
Rot. Bonds3

About N-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine

N-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43635589) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43635589
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H18ClN3/c1-9-15(10(2)19-18-9)17-14-7-12(8-14)11-3-5-13(16)6-4-11/h3-6,12,14,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyDKHVSMVRXYBEIZ-UHFFFAOYSA-N
XLogP4.04
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 43635589) is N-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is DKHVSMVRXYBEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-9-15(10(2)19-18-9)17-14-7-12(8-14)11-3-5-13(16)6-4-11/h3-6,12,14,17H,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 275.78 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)cyclobutyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43635589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).