1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-4-amine

C9H13N5 — CID 19618531

IUPAC1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-4-amine
SMILESCc1cc(C)n(Cn2cc(N)cn2)n1
InChIInChI=1S/C9H13N5/c1-7-3-8(2)14(12-7)6-13-5-9(10)4-11-13/h3-5H,6,10H2,1-2H3
InChIKeyNGYOLWNPNGNEAL-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.78
Rot. Bonds2

About 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-4-amine

1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-4-amine (PubChem CID 19618531) 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-4-amine.

Molecular Properties

Compound Name1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-4-amine
PubChem CID19618531
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-4-amine
SMILESCc1cc(C)n(Cn2cc(N)cn2)n1
InChIInChI=1S/C9H13N5/c1-7-3-8(2)14(12-7)6-13-5-9(10)4-11-13/h3-5H,6,10H2,1-2H3
InChIKeyNGYOLWNPNGNEAL-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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Related Compounds

1H-Pyrazole, 1,1'-ethylidenebis[3,5-dimethyl-
CID 644841
5-Methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole
CID 2805660
1,1'-Methylenebis(3-methyl-1H-pyrazole)
CID 15210309
3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine
CID 115898011
N-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-amine;hydrochloride
CID 175091436
1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride
CID 175094977
N-methyl-1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine;hydrochloride
CID 175095987
5-Methyl-1-(pyrazol-1-ylmethyl)pyrazole
CID 10351992
2,2-Bis(3,5-dimethylpyrazol-1-yl)ethanamine
CID 90942795
1-(1,5-Dimethylpyrazol-4-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiourea
CID 19334242
1-[[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-1H-pyrazol-3-amine
CID 19618522
1-[[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine
CID 19618534

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-4-amine (CID 19618531) is 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-4-amine is Cc1cc(C)n(Cn2cc(N)cn2)n1.
What is the InChIKey of 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-4-amine?
The InChIKey is NGYOLWNPNGNEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-7-3-8(2)14(12-7)6-13-5-9(10)4-11-13/h3-5H,6,10H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-4-amine?
1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-4-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-4-amine is sourced from PubChem (CID 19618531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).