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

C9H12ClN5 — CID 19618524

IUPAC4-chloro-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine
SMILESCc1cc(C)n(Cn2cc(Cl)c(N)n2)n1
InChIInChI=1S/C9H12ClN5/c1-6-3-7(2)15(12-6)5-14-4-8(10)9(11)13-14/h3-4H,5H2,1-2H3,(H2,11,13)
InChIKeyPNWFQGVVYGIUNV-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.44
Rot. Bonds2

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

4-chloro-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine (PubChem CID 19618524) has the molecular formula C9H12ClN5 and a molecular weight of 225.68 g/mol. Its IUPAC name is 4-chloro-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine
PubChem CID19618524
Molecular FormulaC9H12ClN5
Molecular Weight225.68 g/mol
Exact Mass225.08
IUPAC Name4-chloro-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine
SMILESCc1cc(C)n(Cn2cc(Cl)c(N)n2)n1
InChIInChI=1S/C9H12ClN5/c1-6-3-7(2)15(12-6)5-14-4-8(10)9(11)13-14/h3-4H,5H2,1-2H3,(H2,11,13)
InChIKeyPNWFQGVVYGIUNV-UHFFFAOYSA-N
XLogP1.44
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-1H-pyrazol-3-amine
CID 19618522
4-Chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine
CID 19618528
1-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)-5-methyl-1H-pyrazol-3-amine
CID 19576666
1-((4-Chloro-1H-pyrazol-1-yl)methyl)-5-methyl-1H-pyrazol-3-amine
CID 19576695
1-[(4-chloro-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 19616935
3,5-Dimethyl-1-(pyrazol-1-ylmethyl)pyrazole
CID 13692733
5-methyl-1-[(4-methyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-amine
CID 19576706
5-methyl-1-(1H-pyrazol-1-ylmethyl)-1H-pyrazol-3-amine
CID 19576822
4-Chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole
CID 70851888
4-Chloro-1-methyl-3-(3-methylpyrazol-1-yl)pyrazole
CID 117670155
4-Chloro-1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-5-amine
CID 7176036
1-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-4-amine
CID 17024649

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine?
The IUPAC name of 4-chloro-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine (CID 19618524) is 4-chloro-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine is Cc1cc(C)n(Cn2cc(Cl)c(N)n2)n1.
What is the InChIKey of 4-chloro-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine?
The InChIKey is PNWFQGVVYGIUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5/c1-6-3-7(2)15(12-6)5-14-4-8(10)9(11)13-14/h3-4H,5H2,1-2H3,(H2,11,13).
What are the key properties of 4-chloro-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine?
4-chloro-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine has a molecular weight of 225.68 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 19618524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).