(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone

C16H24ClN3O — CID 114641237

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
SMILESCC(C)n1ncc(Cl)c1C(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H24ClN3O/c1-12(2)20-14(13(17)11-18-20)15(21)16(7-3-4-8-16)19-9-5-6-10-19/h11-12H,3-10H2,1-2H3
InChIKeySQXBFNDJBCNCIJ-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.71
Rot. Bonds4

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone (PubChem CID 114641237) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
PubChem CID114641237
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
SMILESCC(C)n1ncc(Cl)c1C(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H24ClN3O/c1-12(2)20-14(13(17)11-18-20)15(21)16(7-3-4-8-16)19-9-5-6-10-19/h11-12H,3-10H2,1-2H3
InChIKeySQXBFNDJBCNCIJ-UHFFFAOYSA-N
XLogP3.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 83876724
(2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
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1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one
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(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thian-2-yl)methanone
CID 114641823
(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone
CID 114668046
(2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114670428
(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-3-ylmethanone
CID 114668061
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)hexan-1-one
CID 115805024
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone
CID 115805221
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone
CID 114640773

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone (CID 114641237) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone is CC(C)n1ncc(Cl)c1C(=O)C1(N2CCCC2)CCCC1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The InChIKey is SQXBFNDJBCNCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-12(2)20-14(13(17)11-18-20)15(21)16(7-3-4-8-16)19-9-5-6-10-19/h11-12H,3-10H2,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone has a molecular weight of 309.84 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone is sourced from PubChem (CID 114641237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).