N-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine

C13H23N3 — CID 83168369

IUPACN-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESCC(C)CCCn1ccc(CNC2CC2)n1
InChIInChI=1S/C13H23N3/c1-11(2)4-3-8-16-9-7-13(15-16)10-14-12-5-6-12/h7,9,11-12,14H,3-6,8,10H2,1-2H3
InChIKeyYREJAZLQOCOHHS-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.57
Rot. Bonds7

About N-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine

N-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 83168369) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID83168369
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESCC(C)CCCn1ccc(CNC2CC2)n1
InChIInChI=1S/C13H23N3/c1-11(2)4-3-8-16-9-7-13(15-16)10-14-12-5-6-12/h7,9,11-12,14H,3-6,8,10H2,1-2H3
InChIKeyYREJAZLQOCOHHS-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine (CID 83168369) is N-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine is CC(C)CCCn1ccc(CNC2CC2)n1.
What is the InChIKey of N-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is YREJAZLQOCOHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)4-3-8-16-9-7-13(15-16)10-14-12-5-6-12/h7,9,11-12,14H,3-6,8,10H2,1-2H3.
What are the key properties of N-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine?
N-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 221.35 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylpentyl)pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83168369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).