4-chloro-1-cyclopentyl-3-methylpyrazol-5-amine

C9H14ClN3 — CID 19619877

IUPAC4-chloro-1-cyclopentyl-3-methylpyrazol-5-amine
SMILESCc1nn(C2CCCC2)c(N)c1Cl
InChIInChI=1S/C9H14ClN3/c1-6-8(10)9(11)13(12-6)7-4-2-3-5-7/h7H,2-5,11H2,1H3
InChIKeySFOQEDGQOROEQO-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.54
Rot. Bonds1

About 4-chloro-1-cyclopentyl-3-methylpyrazol-5-amine

4-chloro-1-cyclopentyl-3-methylpyrazol-5-amine (PubChem CID 19619877) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is 4-chloro-1-cyclopentyl-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-1-cyclopentyl-3-methylpyrazol-5-amine
PubChem CID19619877
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC Name4-chloro-1-cyclopentyl-3-methylpyrazol-5-amine
SMILESCc1nn(C2CCCC2)c(N)c1Cl
InChIInChI=1S/C9H14ClN3/c1-6-8(10)9(11)13(12-6)7-4-2-3-5-7/h7H,2-5,11H2,1H3
InChIKeySFOQEDGQOROEQO-UHFFFAOYSA-N
XLogP2.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopentyl-3-methylpyrazol-5-amine?
The IUPAC name of 4-chloro-1-cyclopentyl-3-methylpyrazol-5-amine (CID 19619877) is 4-chloro-1-cyclopentyl-3-methylpyrazol-5-amine.
What is the SMILES notation for 4-chloro-1-cyclopentyl-3-methylpyrazol-5-amine?
The canonical SMILES for 4-chloro-1-cyclopentyl-3-methylpyrazol-5-amine is Cc1nn(C2CCCC2)c(N)c1Cl.
What is the InChIKey of 4-chloro-1-cyclopentyl-3-methylpyrazol-5-amine?
The InChIKey is SFOQEDGQOROEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-6-8(10)9(11)13(12-6)7-4-2-3-5-7/h7H,2-5,11H2,1H3.
What are the key properties of 4-chloro-1-cyclopentyl-3-methylpyrazol-5-amine?
4-chloro-1-cyclopentyl-3-methylpyrazol-5-amine has a molecular weight of 199.68 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopentyl-3-methylpyrazol-5-amine is sourced from PubChem (CID 19619877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).