(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone

C13H19ClN2O — CID 114640773

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone
SMILESCC1CCC(C(=O)c2c(Cl)cnn2C(C)C)C1
InChIInChI=1S/C13H19ClN2O/c1-8(2)16-12(11(14)7-15-16)13(17)10-5-4-9(3)6-10/h7-10H,4-6H2,1-3H3
InChIKeyMPXRILRCNHAKFD-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.74
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone (PubChem CID 114640773) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone
PubChem CID114640773
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone
SMILESCC1CCC(C(=O)c2c(Cl)cnn2C(C)C)C1
InChIInChI=1S/C13H19ClN2O/c1-8(2)16-12(11(14)7-15-16)13(17)10-5-4-9(3)6-10/h7-10H,4-6H2,1-3H3
InChIKeyMPXRILRCNHAKFD-UHFFFAOYSA-N
XLogP3.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-3-ylmethanone
CID 114668061
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 114639673
(4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 114639668
(2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114669693
(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone
CID 114668046
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thian-2-yl)methanone
CID 114641823
(2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114670428
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724
(4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone
CID 114639277
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone
CID 103451058
(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone
CID 114640740
2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114665077

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone (CID 114640773) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone is CC1CCC(C(=O)c2c(Cl)cnn2C(C)C)C1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone?
The InChIKey is MPXRILRCNHAKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-8(2)16-12(11(14)7-15-16)13(17)10-5-4-9(3)6-10/h7-10H,4-6H2,1-3H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone has a molecular weight of 254.76 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone is sourced from PubChem (CID 114640773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).