1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine

C9H13N5 — CID 19618518

IUPAC1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine
SMILESCc1cc(C)n(Cn2ccc(N)n2)n1
InChIInChI=1S/C9H13N5/c1-7-5-8(2)14(11-7)6-13-4-3-9(10)12-13/h3-5H,6H2,1-2H3,(H2,10,12)
InChIKeyNGEKDFBVZGYBAC-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.78
Rot. Bonds2

About 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine

1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine (PubChem CID 19618518) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine
PubChem CID19618518
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine
SMILESCc1cc(C)n(Cn2ccc(N)n2)n1
InChIInChI=1S/C9H13N5/c1-7-5-8(2)14(11-7)6-13-4-3-9(10)12-13/h3-5H,6H2,1-2H3,(H2,10,12)
InChIKeyNGEKDFBVZGYBAC-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine (CID 19618518) is 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine is Cc1cc(C)n(Cn2ccc(N)n2)n1.
What is the InChIKey of 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine?
The InChIKey is NGEKDFBVZGYBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-7-5-8(2)14(11-7)6-13-4-3-9(10)12-13/h3-5H,6H2,1-2H3,(H2,10,12).
What are the key properties of 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine?
1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine has a molecular weight of 191.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 19618518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).