5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole

C14H21ClN4 — CID 114111889

IUPAC5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCc1nn(C)c2c1nc(C(C)Cl)n2C(C)(C)C1CC1
InChIInChI=1S/C14H21ClN4/c1-8(15)12-16-11-9(2)17-18(5)13(11)19(12)14(3,4)10-6-7-10/h8,10H,6-7H2,1-5H3
InChIKeyBALOBKWSFXEKAN-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.52
Rot. Bonds3

About 5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole

5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole (PubChem CID 114111889) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole
PubChem CID114111889
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCc1nn(C)c2c1nc(C(C)Cl)n2C(C)(C)C1CC1
InChIInChI=1S/C14H21ClN4/c1-8(15)12-16-11-9(2)17-18(5)13(11)19(12)14(3,4)10-6-7-10/h8,10H,6-7H2,1-5H3
InChIKeyBALOBKWSFXEKAN-UHFFFAOYSA-N
XLogP3.52
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole 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

5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297164
5-(1-chloroethyl)-1,3-dimethyl-6-(2-methyloxolan-3-yl)imidazo[4,5-d]pyrazole
CID 82727878
5-(1-chloroethyl)-6-(3,3-dimethylcyclopentyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 114548654
5-(1-chloroethyl)-1,3-dimethyl-6-(thian-2-ylmethyl)imidazo[4,5-d]pyrazole
CID 80612682
N-tert-butyl-2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]acetamide
CID 115357088
2-[[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]methyl]thiolane 1,1-dioxide
CID 81043392
5-(1-chloroethyl)-6-[(1-ethylcyclopropyl)methyl]-1,3-dimethylimidazo[4,5-d]pyrazole
CID 114101213
5-(1-chloroethyl)-6-(2-ethoxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297389
2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropanamide
CID 79297254
5-(1-chloroethyl)-3-ethyl-6-(3-ethylpentan-3-yl)-1-methylimidazo[4,5-d]pyrazole
CID 79281064
5-(1-chloroethyl)-1,3-dimethyl-6-(4-propan-2-yloxybutyl)imidazo[4,5-d]pyrazole
CID 106005079
4-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]butanamide
CID 79297320

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The IUPAC name of 5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole (CID 114111889) is 5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole is Cc1nn(C)c2c1nc(C(C)Cl)n2C(C)(C)C1CC1.
What is the InChIKey of 5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The InChIKey is BALOBKWSFXEKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-8(15)12-16-11-9(2)17-18(5)13(11)19(12)14(3,4)10-6-7-10/h8,10H,6-7H2,1-5H3.
What are the key properties of 5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole?
5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole has a molecular weight of 280.80 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-6-(2-cyclopropylpropan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole is sourced from PubChem (CID 114111889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).