2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine

C13H13N5 — CID 16790422

IUPAC2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H13N5/c14-13-6-7-15-18(13)10-11-8-16-17(9-11)12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKeyNBYBFRKEXZXWEK-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.70
Rot. Bonds3

About 2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine

2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine (PubChem CID 16790422) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine
PubChem CID16790422
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H13N5/c14-13-6-7-15-18(13)10-11-8-16-17(9-11)12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKeyNBYBFRKEXZXWEK-UHFFFAOYSA-N
XLogP1.70
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide
CID 155948531
2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
CID 75433632
4-[[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]aniline
CID 82558636
3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 115696938
1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 75433893
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718
1-phenyl-4-propylpyrazole
CID 12902534
2-(1-phenylpyrazol-4-yl)ethanethiol
CID 134448199
3-[(1-phenylpyrazol-4-yl)methylsulfanyl]propan-1-amine
CID 66217830
3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586468
1-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxylic acid
CID 43565278
2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine
CID 63998552

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine (CID 16790422) is 2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine is Nc1ccnn1Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine?
The InChIKey is NBYBFRKEXZXWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-13-6-7-15-18(13)10-11-8-16-17(9-11)12-4-2-1-3-5-12/h1-9H,10,14H2.
What are the key properties of 2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine?
2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine has a molecular weight of 239.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 16790422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).