N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine

C11H13N3 — CID 22277810

IUPACN-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
SMILESCNCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C11H13N3/c1-12-8-10-7-11(14-13-10)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3,(H,13,14)
InChIKeyDZKXCPRBGCYVCH-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.80
Rot. Bonds3

About N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine

N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine (PubChem CID 22277810) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
PubChem CID22277810
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
SMILESCNCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C11H13N3/c1-12-8-10-7-11(14-13-10)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3,(H,13,14)
InChIKeyDZKXCPRBGCYVCH-UHFFFAOYSA-N
XLogP1.80
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine (CID 22277810) is N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine is CNCc1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine?
The InChIKey is DZKXCPRBGCYVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-12-8-10-7-11(14-13-10)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3,(H,13,14).
What are the key properties of N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine?
N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine has a molecular weight of 187.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 22277810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).