3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine

C12H20ClN3 — CID 114664094

IUPAC3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine
SMILESCCCn1ncc(Cl)c1C1CCC(NC)C1
InChIInChI=1S/C12H20ClN3/c1-3-6-16-12(11(13)8-15-16)9-4-5-10(7-9)14-2/h8-10,14H,3-7H2,1-2H3
InChIKeyUCWIJASIZSLZHW-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.80
Rot. Bonds4

About 3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine

3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine (PubChem CID 114664094) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine
PubChem CID114664094
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine
SMILESCCCn1ncc(Cl)c1C1CCC(NC)C1
InChIInChI=1S/C12H20ClN3/c1-3-6-16-12(11(13)8-15-16)9-4-5-10(7-9)14-2/h8-10,14H,3-7H2,1-2H3
InChIKeyUCWIJASIZSLZHW-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine?
The IUPAC name of 3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine (CID 114664094) is 3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine is CCCn1ncc(Cl)c1C1CCC(NC)C1.
What is the InChIKey of 3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine?
The InChIKey is UCWIJASIZSLZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-3-6-16-12(11(13)8-15-16)9-4-5-10(7-9)14-2/h8-10,14H,3-7H2,1-2H3.
What are the key properties of 3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine?
3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine has a molecular weight of 241.77 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-propylpyrazol-5-yl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 114664094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).