1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine

C13H15N3 — CID 105467000

IUPAC1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine
SMILESCn1nc(C2(N)CC2)cc1-c1ccccc1
InChIInChI=1S/C13H15N3/c1-16-11(10-5-3-2-4-6-10)9-12(15-16)13(14)7-8-13/h2-6,9H,7-8,14H2,1H3
InChIKeyXGLZVLKULLVTMT-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.03
Rot. Bonds2

About 1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine

1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine (PubChem CID 105467000) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine
PubChem CID105467000
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine
SMILESCn1nc(C2(N)CC2)cc1-c1ccccc1
InChIInChI=1S/C13H15N3/c1-16-11(10-5-3-2-4-6-10)9-12(15-16)13(14)7-8-13/h2-6,9H,7-8,14H2,1H3
InChIKeyXGLZVLKULLVTMT-UHFFFAOYSA-N
XLogP2.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine?
The IUPAC name of 1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine (CID 105467000) is 1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine is Cn1nc(C2(N)CC2)cc1-c1ccccc1.
What is the InChIKey of 1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine?
The InChIKey is XGLZVLKULLVTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-11(10-5-3-2-4-6-10)9-12(15-16)13(14)7-8-13/h2-6,9H,7-8,14H2,1H3.
What are the key properties of 1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine?
1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine is sourced from PubChem (CID 105467000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).