N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine

C11H18ClN3 — CID 114664509

IUPACN-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)Cc1c(Cl)cnn1C
InChIInChI=1S/C11H18ClN3/c1-8(6-13-9-3-4-9)5-11-10(12)7-14-15(11)2/h7-9,13H,3-6H2,1-2H3
InChIKeyAGJAHVFNCVFLTM-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.00
Rot. Bonds5

About N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine

N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine (PubChem CID 114664509) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine
PubChem CID114664509
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)Cc1c(Cl)cnn1C
InChIInChI=1S/C11H18ClN3/c1-8(6-13-9-3-4-9)5-11-10(12)7-14-15(11)2/h7-9,13H,3-6H2,1-2H3
InChIKeyAGJAHVFNCVFLTM-UHFFFAOYSA-N
XLogP2.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine (CID 114664509) is N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine is CC(CNC1CC1)Cc1c(Cl)cnn1C.
What is the InChIKey of N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine?
The InChIKey is AGJAHVFNCVFLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-8(6-13-9-3-4-9)5-11-10(12)7-14-15(11)2/h7-9,13H,3-6H2,1-2H3.
What are the key properties of N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine?
N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine has a molecular weight of 227.74 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 114664509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).