N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine

C15H17N5 — CID 43777191

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H17N5/c1-11-15(12(2)19-18-11)17-9-13-3-5-14(6-4-13)20-8-7-16-10-20/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyOQVIWXBIYFZNFI-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.82
Rot. Bonds4

About N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine

N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43777191) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43777191
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H17N5/c1-11-15(12(2)19-18-11)17-9-13-3-5-14(6-4-13)20-8-7-16-10-20/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyOQVIWXBIYFZNFI-UHFFFAOYSA-N
XLogP2.82
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine
CID 43547187
4-[(4-imidazol-1-ylphenyl)methylamino]phenol
CID 43790371
N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline
CID 43229429
2-bromo-N-[(4-imidazol-1-ylphenyl)methyl]-5-methylaniline
CID 82745549
3-bromo-N-[(4-imidazol-1-ylphenyl)methyl]-2-methylaniline
CID 107630089
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one
CID 60931656
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline
CID 75385215
N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide
CID 78887879
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 43777191) is N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is OQVIWXBIYFZNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-11-15(12(2)19-18-11)17-9-13-3-5-14(6-4-13)20-8-7-16-10-20/h3-8,10,17H,9H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43777191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).