1-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine

C12H13N3 — CID 55271581

IUPAC1-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(-c3ccn[nH]3)cc2)CC1
InChIInChI=1S/C12H13N3/c13-12(6-7-12)10-3-1-9(2-4-10)11-5-8-14-15-11/h1-5,8H,6-7,13H2,(H,14,15)
InChIKeyMPTWXNPRHOKELZ-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.02
Rot. Bonds2

About 1-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine

1-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine (PubChem CID 55271581) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 1-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine
PubChem CID55271581
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name1-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(-c3ccn[nH]3)cc2)CC1
InChIInChI=1S/C12H13N3/c13-12(6-7-12)10-3-1-9(2-4-10)11-5-8-14-15-11/h1-5,8H,6-7,13H2,(H,14,15)
InChIKeyMPTWXNPRHOKELZ-UHFFFAOYSA-N
XLogP2.02
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine (CID 55271581) is 1-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine is NC1(c2ccc(-c3ccn[nH]3)cc2)CC1.
What is the InChIKey of 1-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine?
The InChIKey is MPTWXNPRHOKELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-12(6-7-12)10-3-1-9(2-4-10)11-5-8-14-15-11/h1-5,8H,6-7,13H2,(H,14,15).
What are the key properties of 1-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine?
1-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine has a molecular weight of 199.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 55271581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).