N-[(4-chloro-1-methylpyrazol-3-yl)methyl]cyclopropanamine

C8H12ClN3 — CID 57419851

IUPACN-[(4-chloro-1-methylpyrazol-3-yl)methyl]cyclopropanamine
SMILESCn1cc(Cl)c(CNC2CC2)n1
InChIInChI=1S/C8H12ClN3/c1-12-5-7(9)8(11-12)4-10-6-2-3-6/h5-6,10H,2-4H2,1H3
InChIKeyHOQKEUAVJBXNAW-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.33
Rot. Bonds3

About N-[(4-chloro-1-methylpyrazol-3-yl)methyl]cyclopropanamine

N-[(4-chloro-1-methylpyrazol-3-yl)methyl]cyclopropanamine (PubChem CID 57419851) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-3-yl)methyl]cyclopropanamine
PubChem CID57419851
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC NameN-[(4-chloro-1-methylpyrazol-3-yl)methyl]cyclopropanamine
SMILESCn1cc(Cl)c(CNC2CC2)n1
InChIInChI=1S/C8H12ClN3/c1-12-5-7(9)8(11-12)4-10-6-2-3-6/h5-6,10H,2-4H2,1H3
InChIKeyHOQKEUAVJBXNAW-UHFFFAOYSA-N
XLogP1.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]cyclopropanamine (CID 57419851) is N-[(4-chloro-1-methylpyrazol-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]cyclopropanamine is Cn1cc(Cl)c(CNC2CC2)n1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]cyclopropanamine?
The InChIKey is HOQKEUAVJBXNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-12-5-7(9)8(11-12)4-10-6-2-3-6/h5-6,10H,2-4H2,1H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]cyclopropanamine?
N-[(4-chloro-1-methylpyrazol-3-yl)methyl]cyclopropanamine has a molecular weight of 185.66 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 57419851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).