3-chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole

C9H10ClN5 — CID 63384256

IUPAC3-chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole
SMILESCn1cc(-n2c(Cl)nnc2C2CC2)cn1
InChIInChI=1S/C9H10ClN5/c1-14-5-7(4-11-14)15-8(6-2-3-6)12-13-9(15)10/h4-6H,2-3H2,1H3
InChIKeyZUGRWVNHDIVHHK-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.53
Rot. Bonds2

About 3-chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole

3-chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole (PubChem CID 63384256) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole
PubChem CID63384256
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name3-chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole
SMILESCn1cc(-n2c(Cl)nnc2C2CC2)cn1
InChIInChI=1S/C9H10ClN5/c1-14-5-7(4-11-14)15-8(6-2-3-6)12-13-9(15)10/h4-6H,2-3H2,1H3
InChIKeyZUGRWVNHDIVHHK-UHFFFAOYSA-N
XLogP1.53
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-[1-(propan-2-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole
CID 63385056
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 53618551
N-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 74243593
3-[(4-Chloropyrazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole
CID 75494193
N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine
CID 125422138
3-Fluoro-1-[1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]pyrazol-4-amine
CID 169172657
1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine
CID 169172677
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
5-[(2,2-Difluorocyclopropyl)methyl]-3-methyl-1-(1-methylpyrazol-4-yl)-1,2,4-triazole
CID 138380445
N-[(1-methylpyrazol-4-yl)methyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]cyclopropanamine
CID 146142097

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole (CID 63384256) is 3-chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole is Cn1cc(-n2c(Cl)nnc2C2CC2)cn1.
What is the InChIKey of 3-chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole?
The InChIKey is ZUGRWVNHDIVHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-14-5-7(4-11-14)15-8(6-2-3-6)12-13-9(15)10/h4-6H,2-3H2,1H3.
What are the key properties of 3-chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole?
3-chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole has a molecular weight of 223.67 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 63384256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).