N-methyl-1-(1-phenylpyrazol-4-yl)methanamine

C11H13N3 — CID 7131170

IUPACN-methyl-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C11H13N3/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3
InChIKeySZXULAAYIBSASF-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.59
Rot. Bonds3

About N-methyl-1-(1-phenylpyrazol-4-yl)methanamine

N-methyl-1-(1-phenylpyrazol-4-yl)methanamine (PubChem CID 7131170) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-methyl-1-(1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-phenylpyrazol-4-yl)methanamine
PubChem CID7131170
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-methyl-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C11H13N3/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3
InChIKeySZXULAAYIBSASF-UHFFFAOYSA-N
XLogP1.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(1-phenylpyrazol-4-yl)methanamine (CID 7131170) is N-methyl-1-(1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-phenylpyrazol-4-yl)methanamine is CNCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
The InChIKey is SZXULAAYIBSASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3.
What are the key properties of N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
N-methyl-1-(1-phenylpyrazol-4-yl)methanamine has a molecular weight of 187.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 7131170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).