N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropanamine

C9H15N3 — CID 25220769

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCc1nn(C)cc1CNC1CC1
InChIInChI=1S/C9H15N3/c1-7-8(6-12(2)11-7)5-10-9-3-4-9/h6,9-10H,3-5H2,1-2H3
InChIKeyXZQKTGXMGZPRBA-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.98
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropanamine

N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 25220769) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID25220769
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCc1nn(C)cc1CNC1CC1
InChIInChI=1S/C9H15N3/c1-7-8(6-12(2)11-7)5-10-9-3-4-9/h6,9-10H,3-5H2,1-2H3
InChIKeyXZQKTGXMGZPRBA-UHFFFAOYSA-N
XLogP0.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropanamine (CID 25220769) is N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropanamine is Cc1nn(C)cc1CNC1CC1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is XZQKTGXMGZPRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-8(6-12(2)11-7)5-10-9-3-4-9/h6,9-10H,3-5H2,1-2H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 165.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 25220769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).