1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine

C9H13N5 — CID 7022252

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1c(Cn2cc(N)cn2)cnn1C
InChIInChI=1S/C9H13N5/c1-7-8(3-11-13(7)2)5-14-6-9(10)4-12-14/h3-4,6H,5,10H2,1-2H3
InChIKeyCFBVQXCGYQTLGH-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.56
Rot. Bonds2

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine

1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 7022252) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine
PubChem CID7022252
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1c(Cn2cc(N)cn2)cnn1C
InChIInChI=1S/C9H13N5/c1-7-8(3-11-13(7)2)5-14-6-9(10)4-12-14/h3-4,6H,5,10H2,1-2H3
InChIKeyCFBVQXCGYQTLGH-UHFFFAOYSA-N
XLogP0.56
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine (CID 7022252) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine is Cc1c(Cn2cc(N)cn2)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is CFBVQXCGYQTLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-7-8(3-11-13(7)2)5-14-6-9(10)4-12-14/h3-4,6H,5,10H2,1-2H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine?
1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine has a molecular weight of 191.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 7022252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).