2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine

C10H16ClN3 — CID 83886212

IUPAC2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine
SMILESCC(CN)c1c(C2CC2)nn(C)c1Cl
InChIInChI=1S/C10H16ClN3/c1-6(5-12)8-9(7-3-4-7)13-14(2)10(8)11/h6-7H,3-5,12H2,1-2H3
InChIKeyNQHMPFTXTVSOJY-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.01
Rot. Bonds3

About 2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine

2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 83886212) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine
PubChem CID83886212
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine
SMILESCC(CN)c1c(C2CC2)nn(C)c1Cl
InChIInChI=1S/C10H16ClN3/c1-6(5-12)8-9(7-3-4-7)13-14(2)10(8)11/h6-7H,3-5,12H2,1-2H3
InChIKeyNQHMPFTXTVSOJY-UHFFFAOYSA-N
XLogP2.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine (CID 83886212) is 2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine is CC(CN)c1c(C2CC2)nn(C)c1Cl.
What is the InChIKey of 2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is NQHMPFTXTVSOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-6(5-12)8-9(7-3-4-7)13-14(2)10(8)11/h6-7H,3-5,12H2,1-2H3.
What are the key properties of 2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine?
2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 213.71 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 83886212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).