N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine

C15H17N5 — CID 56886534

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESCN(Cc1ccc(-n2cccn2)cc1)Cc1ncc[nH]1
InChIInChI=1S/C15H17N5/c1-19(12-15-16-8-9-17-15)11-13-3-5-14(6-4-13)20-10-2-7-18-20/h2-10H,11-12H2,1H3,(H,16,17)
InChIKeyKWWFSKQGNXQRJE-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.23
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine

N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine (PubChem CID 56886534) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine
PubChem CID56886534
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESCN(Cc1ccc(-n2cccn2)cc1)Cc1ncc[nH]1
InChIInChI=1S/C15H17N5/c1-19(12-15-16-8-9-17-15)11-13-3-5-14(6-4-13)20-10-2-7-18-20/h2-10H,11-12H2,1H3,(H,16,17)
InChIKeyKWWFSKQGNXQRJE-UHFFFAOYSA-N
XLogP2.23
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine (CID 56886534) is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine is CN(Cc1ccc(-n2cccn2)cc1)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine?
The InChIKey is KWWFSKQGNXQRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-19(12-15-16-8-9-17-15)11-13-3-5-14(6-4-13)20-10-2-7-18-20/h2-10H,11-12H2,1H3,(H,16,17).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine?
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine has a molecular weight of 267.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 56886534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).