(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone

C11H13ClN4O — CID 114640551

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1cnn(C)c1
InChIInChI=1S/C11H13ClN4O/c1-3-4-16-10(9(12)6-14-16)11(17)8-5-13-15(2)7-8/h5-7H,3-4H2,1-2H3
InChIKeyASQZLFOILSLJTQ-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.91
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone

(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 114640551) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone
PubChem CID114640551
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1cnn(C)c1
InChIInChI=1S/C11H13ClN4O/c1-3-4-16-10(9(12)6-14-16)11(17)8-5-13-15(2)7-8/h5-7H,3-4H2,1-2H3
InChIKeyASQZLFOILSLJTQ-UHFFFAOYSA-N
XLogP1.91
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone
CID 114639545
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone
CID 105130996
(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107944773
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114642895
(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone
CID 114639191
(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanone
CID 106754783
(4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone
CID 114642103
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
(4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114667997
(4-amino-3-bromophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669787
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
1-(4-chloro-1-propylpyrazol-5-yl)octan-1-one
CID 115805677

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone (CID 114640551) is (4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone is CCCn1ncc(Cl)c1C(=O)c1cnn(C)c1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is ASQZLFOILSLJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-3-4-16-10(9(12)6-14-16)11(17)8-5-13-15(2)7-8/h5-7H,3-4H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone?
(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 252.71 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 114640551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).