N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine

C13H15N3 — CID 62111862

IUPACN-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine
SMILESc1ccc(-c2cc(CNC3CC3)[nH]n2)cc1
InChIInChI=1S/C13H15N3/c1-2-4-10(5-3-1)13-8-12(15-16-13)9-14-11-6-7-11/h1-5,8,11,14H,6-7,9H2,(H,15,16)
InChIKeyPMUJOIKZRAJTMV-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.33
Rot. Bonds4

About N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine

N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine (PubChem CID 62111862) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine
PubChem CID62111862
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine
SMILESc1ccc(-c2cc(CNC3CC3)[nH]n2)cc1
InChIInChI=1S/C13H15N3/c1-2-4-10(5-3-1)13-8-12(15-16-13)9-14-11-6-7-11/h1-5,8,11,14H,6-7,9H2,(H,15,16)
InChIKeyPMUJOIKZRAJTMV-UHFFFAOYSA-N
XLogP2.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine (CID 62111862) is N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine is c1ccc(-c2cc(CNC3CC3)[nH]n2)cc1.
What is the InChIKey of N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine?
The InChIKey is PMUJOIKZRAJTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-4-10(5-3-1)13-8-12(15-16-13)9-14-11-6-7-11/h1-5,8,11,14H,6-7,9H2,(H,15,16).
What are the key properties of N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine?
N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine has a molecular weight of 213.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62111862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).