3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole

C8H10ClN5 — CID 63385056

IUPAC3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole
SMILESCC(C)n1cc(-n2cnnc2Cl)cn1
InChIInChI=1S/C8H10ClN5/c1-6(2)14-4-7(3-11-14)13-5-10-12-8(13)9/h3-6H,1-2H3
InChIKeyLEGSHDNICMJTCP-UHFFFAOYSA-N
MW211.66 g/mol
LogP1.70
Rot. Bonds2

About 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole

3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole (PubChem CID 63385056) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole
PubChem CID63385056
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole
SMILESCC(C)n1cc(-n2cnnc2Cl)cn1
InChIInChI=1S/C8H10ClN5/c1-6(2)14-4-7(3-11-14)13-5-10-12-8(13)9/h3-6H,1-2H3
InChIKeyLEGSHDNICMJTCP-UHFFFAOYSA-N
XLogP1.70
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyrazol-4-amine
CID 75446845
N-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-N-ethyl-2-(1H-pyrazol-1-yl)ethanamine
CID 91835881
1-(1-propan-2-ylpyrazol-4-yl)-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97941368
N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine
CID 125422138
N,1-dimethyl-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrazol-4-amine
CID 132361520
1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine
CID 169172677
3-Chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole
CID 63384256
3-Chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole
CID 63384961
3-Chloro-4-(1-methylpyrazol-4-yl)-1,2,4-triazole
CID 63385009
3-Chloro-5-cyclopropyl-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole
CID 63385104
n-((1-Ethyl-1h-imidazol-2-yl)methyl)-1-methyl-1h-pyrazol-4-amine
CID 62356553
1-[2-(1H-Imidazol-1-yl)ethyl]-1H-pyrazole
CID 14195555

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole (CID 63385056) is 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole is CC(C)n1cc(-n2cnnc2Cl)cn1.
What is the InChIKey of 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole?
The InChIKey is LEGSHDNICMJTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5/c1-6(2)14-4-7(3-11-14)13-5-10-12-8(13)9/h3-6H,1-2H3.
What are the key properties of 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole?
3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole has a molecular weight of 211.66 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1-propan-2-ylpyrazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 63385056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).