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

C11H16ClN5 — CID 19618536

IUPAC1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(Cn2nc(C)c(Cl)c2C)c(C)c1N
InChIInChI=1S/C11H16ClN5/c1-6-10(12)8(3)16(14-6)5-17-9(4)11(13)7(2)15-17/h5,13H2,1-4H3
InChIKeyGOSIRRDXRUCXMX-UHFFFAOYSA-N
MW253.74 g/mol
LogP2.05
Rot. Bonds2

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

1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine (PubChem CID 19618536) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine
PubChem CID19618536
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(Cn2nc(C)c(Cl)c2C)c(C)c1N
InChIInChI=1S/C11H16ClN5/c1-6-10(12)8(3)16(14-6)5-17-9(4)11(13)7(2)15-17/h5,13H2,1-4H3
InChIKeyGOSIRRDXRUCXMX-UHFFFAOYSA-N
XLogP2.05
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bis(1,3,5-trimethylpyrazol-4-yl)diazene
CID 2805548
1-[(4-chloro-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 19616935
1,3-Bis(1,3,5-trimethylpyrazol-4-yl)urea
CID 24658462
1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine hydrochloride
CID 16640637
1-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 7017267
1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 7017863
4-Chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole
CID 15862197
1-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-4-amine
CID 17024649
1-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine chloride
CID 49951074
5-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine
CID 62130001
1-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]-3,5-dimethylpyrazol-4-amine
CID 65860931
1-[(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,5-dimethylpyrazol-4-amine
CID 65870078

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine (CID 19618536) is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine is Cc1nn(Cn2nc(C)c(Cl)c2C)c(C)c1N.
What is the InChIKey of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine?
The InChIKey is GOSIRRDXRUCXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c1-6-10(12)8(3)16(14-6)5-17-9(4)11(13)7(2)15-17/h5,13H2,1-4H3.
What are the key properties of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine?
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine has a molecular weight of 253.74 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 19618536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).