3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine

C14H17ClN4 — CID 115111996

IUPAC3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2c(Cl)cccc2N2CCCC2)cc1N
InChIInChI=1S/C14H17ClN4/c1-18-13(16)9-11(17-18)14-10(15)5-4-6-12(14)19-7-2-3-8-19/h4-6,9H,2-3,7-8,16H2,1H3
InChIKeyVSQNWFURKGWREG-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.92
Rot. Bonds2

About 3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine

3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine (PubChem CID 115111996) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine
PubChem CID115111996
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2c(Cl)cccc2N2CCCC2)cc1N
InChIInChI=1S/C14H17ClN4/c1-18-13(16)9-11(17-18)14-10(15)5-4-6-12(14)19-7-2-3-8-19/h4-6,9H,2-3,7-8,16H2,1H3
InChIKeyVSQNWFURKGWREG-UHFFFAOYSA-N
XLogP2.92
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine (CID 115111996) is 3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2c(Cl)cccc2N2CCCC2)cc1N.
What is the InChIKey of 3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is VSQNWFURKGWREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-18-13(16)9-11(17-18)14-10(15)5-4-6-12(14)19-7-2-3-8-19/h4-6,9H,2-3,7-8,16H2,1H3.
What are the key properties of 3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine?
3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 276.77 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 115111996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).