1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

C15H18N6 — CID 60979174

IUPAC1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESCc1nn(-c2ccccc2)c(C)c1CNCc1ncn[nH]1
InChIInChI=1S/C15H18N6/c1-11-14(8-16-9-15-17-10-18-19-15)12(2)21(20-11)13-6-4-3-5-7-13/h3-7,10,16H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyWUJOAQLPESPMNM-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.90
Rot. Bonds5

About 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (PubChem CID 60979174) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
PubChem CID60979174
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESCc1nn(-c2ccccc2)c(C)c1CNCc1ncn[nH]1
InChIInChI=1S/C15H18N6/c1-11-14(8-16-9-15-17-10-18-19-15)12(2)21(20-11)13-6-4-3-5-7-13/h3-7,10,16H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyWUJOAQLPESPMNM-UHFFFAOYSA-N
XLogP1.90
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 43406566
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64571084
1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine
CID 8851232
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 103605624
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine
CID 43406597
5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107303026
2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine
CID 115592625
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639387
1-(1-benzothiophen-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine
CID 112806117
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111706899
N-[4-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide;oxalic acid
CID 17410122

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (CID 60979174) is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is Cc1nn(-c2ccccc2)c(C)c1CNCc1ncn[nH]1.
What is the InChIKey of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The InChIKey is WUJOAQLPESPMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-11-14(8-16-9-15-17-10-18-19-15)12(2)21(20-11)13-6-4-3-5-7-13/h3-7,10,16H,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine has a molecular weight of 282.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is sourced from PubChem (CID 60979174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).