1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine

C13H21N5 — CID 66130679

IUPAC1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1cncn1C(C)C
InChIInChI=1S/C13H21N5/c1-9(2)18-8-14-6-12(18)7-15-13-10(3)16-17(5)11(13)4/h6,8-9,15H,7H2,1-5H3
InChIKeyIOZNBHZZHHZTHT-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.43
Rot. Bonds4

About 1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine

1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 66130679) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine
PubChem CID66130679
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1cncn1C(C)C
InChIInChI=1S/C13H21N5/c1-9(2)18-8-14-6-12(18)7-15-13-10(3)16-17(5)11(13)4/h6,8-9,15H,7H2,1-5H3
InChIKeyIOZNBHZZHHZTHT-UHFFFAOYSA-N
XLogP2.43
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66129675
N-(1H-imidazol-5-ylmethyl)-1,3,5-trimethylpyrazol-4-amine
CID 62762805
2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66130271
2,4,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66162980
5,7-dichloro-N-[(3-propan-2-ylimidazol-4-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 66131112
2-chloro-5-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 107631241
5-chloro-2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66130068
4-chloro-2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66130677
2-chloro-N-[(3-propan-2-ylimidazol-4-yl)methyl]-6-(trifluoromethyl)aniline
CID 66131876
N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664304
2-methoxy-4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66164345
N-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline
CID 66130925

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine (CID 66130679) is 1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine is Cc1nn(C)c(C)c1NCc1cncn1C(C)C.
What is the InChIKey of 1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is IOZNBHZZHHZTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9(2)18-8-14-6-12(18)7-15-13-10(3)16-17(5)11(13)4/h6,8-9,15H,7H2,1-5H3.
What are the key properties of 1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine?
1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine has a molecular weight of 247.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 66130679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).