N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine

C14H15N5 — CID 78922115

IUPACN-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine
SMILESc1ccc(-n2ccc(CNCc3ncc[nH]3)n2)cc1
InChIInChI=1S/C14H15N5/c1-2-4-13(5-3-1)19-9-6-12(18-19)10-15-11-14-16-7-8-17-14/h1-9,15H,10-11H2,(H,16,17)
InChIKeyXZYIIPJNHBVMSZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.89
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine

N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine (PubChem CID 78922115) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine
PubChem CID78922115
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine
SMILESc1ccc(-n2ccc(CNCc3ncc[nH]3)n2)cc1
InChIInChI=1S/C14H15N5/c1-2-4-13(5-3-1)19-9-6-12(18-19)10-15-11-14-16-7-8-17-14/h1-9,15H,10-11H2,(H,16,17)
InChIKeyXZYIIPJNHBVMSZ-UHFFFAOYSA-N
XLogP1.89
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 83093025
4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126263
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 62887436
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
CID 103908833
1-(3-methyl-4-pyridinyl)-N-[(1-phenylpyrazol-3-yl)methyl]methanamine
CID 114699258
2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine
CID 114615905
2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine
CID 63332874
2-[(1H-imidazol-2-ylmethylamino)methyl]phenol
CID 63001095
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
CID 62885165
4-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 55127369
4-methyl-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]pentanoic acid
CID 122073188

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine (CID 78922115) is N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine is c1ccc(-n2ccc(CNCc3ncc[nH]3)n2)cc1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine?
The InChIKey is XZYIIPJNHBVMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-2-4-13(5-3-1)19-9-6-12(18-19)10-15-11-14-16-7-8-17-14/h1-9,15H,10-11H2,(H,16,17).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine?
N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine has a molecular weight of 253.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 78922115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).