1-butyl-5-chloro-3-propylpyrazole

C10H17ClN2 — CID 66021607

IUPAC1-butyl-5-chloro-3-propylpyrazole
SMILESCCCCn1nc(CCC)cc1Cl
InChIInChI=1S/C10H17ClN2/c1-3-5-7-13-10(11)8-9(12-13)6-4-2/h8H,3-7H2,1-2H3
InChIKeyUNFBLZBCEPINCY-UHFFFAOYSA-N
MW200.71 g/mol
LogP3.29
Rot. Bonds5

About 1-butyl-5-chloro-3-propylpyrazole

1-butyl-5-chloro-3-propylpyrazole (PubChem CID 66021607) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 1-butyl-5-chloro-3-propylpyrazole.

Molecular Properties

Compound Name1-butyl-5-chloro-3-propylpyrazole
PubChem CID66021607
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name1-butyl-5-chloro-3-propylpyrazole
SMILESCCCCn1nc(CCC)cc1Cl
InChIInChI=1S/C10H17ClN2/c1-3-5-7-13-10(11)8-9(12-13)6-4-2/h8H,3-7H2,1-2H3
InChIKeyUNFBLZBCEPINCY-UHFFFAOYSA-N
XLogP3.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-butyl-5-chloro-3-propylpyrazole 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 521507
CID 521507
CID 573081
CID 573081
CID 17835480
CID 17835480
CID 12035666
CID 12035666
CID 573083
CID 573083
CID 5295472
CID 5295472
CID 12035667
CID 12035667
CID 12061632
CID 12061632
CID 101781507
CID 101781507
CID 101781508
CID 101781508
CID 12061627
CID 12061627
CID 12061630
CID 12061630

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-chloro-3-propylpyrazole?
The IUPAC name of 1-butyl-5-chloro-3-propylpyrazole (CID 66021607) is 1-butyl-5-chloro-3-propylpyrazole.
What is the SMILES notation for 1-butyl-5-chloro-3-propylpyrazole?
The canonical SMILES for 1-butyl-5-chloro-3-propylpyrazole is CCCCn1nc(CCC)cc1Cl.
What is the InChIKey of 1-butyl-5-chloro-3-propylpyrazole?
The InChIKey is UNFBLZBCEPINCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2/c1-3-5-7-13-10(11)8-9(12-13)6-4-2/h8H,3-7H2,1-2H3.
What are the key properties of 1-butyl-5-chloro-3-propylpyrazole?
1-butyl-5-chloro-3-propylpyrazole has a molecular weight of 200.71 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-chloro-3-propylpyrazole is sourced from PubChem (CID 66021607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).