5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole

C10H15ClN6 — CID 90029848

IUPAC5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole
SMILESCCn1nnc(-c2cnn(CC(C)C)c2Cl)n1
InChIInChI=1S/C10H15ClN6/c1-4-17-14-10(13-15-17)8-5-12-16(9(8)11)6-7(2)3/h5,7H,4,6H2,1-3H3
InChIKeyNCVHOWZGDRYMHI-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.87
Rot. Bonds4

About 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole

5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole (PubChem CID 90029848) has the molecular formula C10H15ClN6 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole.

Molecular Properties

Compound Name5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole
PubChem CID90029848
Molecular FormulaC10H15ClN6
Molecular Weight254.72 g/mol
Exact Mass254.10
IUPAC Name5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole
SMILESCCn1nnc(-c2cnn(CC(C)C)c2Cl)n1
InChIInChI=1S/C10H15ClN6/c1-4-17-14-10(13-15-17)8-5-12-16(9(8)11)6-7(2)3/h5,7H,4,6H2,1-3H3
InChIKeyNCVHOWZGDRYMHI-UHFFFAOYSA-N
XLogP1.87
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole 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

CID 154732232
CID 154732232
CID 162540280
CID 162540280
CID 22124222
CID 22124222
CID 72694244
CID 72694244
CID 90020608
CID 90020608
CID 90020835
CID 90020835
CID 90021030
CID 90021030
CID 90021061
CID 90021061
CID 90028324
CID 90028324
CID 90028409
CID 90028409
CID 90028686
CID 90028686
CID 90028736
CID 90028736

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole?
The IUPAC name of 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole (CID 90029848) is 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole.
What is the SMILES notation for 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole?
The canonical SMILES for 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole is CCn1nnc(-c2cnn(CC(C)C)c2Cl)n1.
What is the InChIKey of 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole?
The InChIKey is NCVHOWZGDRYMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6/c1-4-17-14-10(13-15-17)8-5-12-16(9(8)11)6-7(2)3/h5,7H,4,6H2,1-3H3.
What are the key properties of 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole?
5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole has a molecular weight of 254.72 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole is sourced from PubChem (CID 90029848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).