1-[(4-chloropyrazol-1-yl)methyl]-5-methylpyrazol-3-amine

C8H10ClN5 — CID 19576695

IUPAC1-[(4-chloropyrazol-1-yl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1Cn1cc(Cl)cn1
InChIInChI=1S/C8H10ClN5/c1-6-2-8(10)12-14(6)5-13-4-7(9)3-11-13/h2-4H,5H2,1H3,(H2,10,12)
InChIKeyUFIBWUJPFPIDFC-UHFFFAOYSA-N
MW211.66 g/mol
LogP1.13
Rot. Bonds2

About 1-[(4-chloropyrazol-1-yl)methyl]-5-methylpyrazol-3-amine

1-[(4-chloropyrazol-1-yl)methyl]-5-methylpyrazol-3-amine (PubChem CID 19576695) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is 1-[(4-chloropyrazol-1-yl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[(4-chloropyrazol-1-yl)methyl]-5-methylpyrazol-3-amine
PubChem CID19576695
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name1-[(4-chloropyrazol-1-yl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1Cn1cc(Cl)cn1
InChIInChI=1S/C8H10ClN5/c1-6-2-8(10)12-14(6)5-13-4-7(9)3-11-13/h2-4H,5H2,1H3,(H2,10,12)
InChIKeyUFIBWUJPFPIDFC-UHFFFAOYSA-N
XLogP1.13
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-1-((1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-3-amine
CID 7176038
4-Chloro-1-((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-3-amine
CID 7176059
4-chloro-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
CID 19616393
4-chloro-1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
CID 19616631
1,1'-Methylenebis(3-methyl-1H-pyrazole)
CID 15210309
5-Methyl-1-(pyrazol-1-ylmethyl)pyrazole
CID 10351992
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
5-Methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole
CID 10103693
3-Methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole
CID 15340267
1',3-Dimethyl[1,4'-bi-1H-pyrazol]-5-amine
CID 18338524
5-methyl-1-[(4-methyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-amine
CID 19576706

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloropyrazol-1-yl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-[(4-chloropyrazol-1-yl)methyl]-5-methylpyrazol-3-amine (CID 19576695) is 1-[(4-chloropyrazol-1-yl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-[(4-chloropyrazol-1-yl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-[(4-chloropyrazol-1-yl)methyl]-5-methylpyrazol-3-amine is Cc1cc(N)nn1Cn1cc(Cl)cn1.
What is the InChIKey of 1-[(4-chloropyrazol-1-yl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is UFIBWUJPFPIDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5/c1-6-2-8(10)12-14(6)5-13-4-7(9)3-11-13/h2-4H,5H2,1H3,(H2,10,12).
What are the key properties of 1-[(4-chloropyrazol-1-yl)methyl]-5-methylpyrazol-3-amine?
1-[(4-chloropyrazol-1-yl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 211.66 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloropyrazol-1-yl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 19576695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).