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

C12H18ClN3O — CID 114669693

IUPAC(2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCC(C)n1ncc(Cl)c1C(=O)C1CCCC1N
InChIInChI=1S/C12H18ClN3O/c1-7(2)16-11(9(13)6-15-16)12(17)8-4-3-5-10(8)14/h6-8,10H,3-5,14H2,1-2H3
InChIKeyHBRWTMQWBIJYOT-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.43
Rot. Bonds3

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

(2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 114669693) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is (2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
PubChem CID114669693
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name(2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCC(C)n1ncc(Cl)c1C(=O)C1CCCC1N
InChIInChI=1S/C12H18ClN3O/c1-7(2)16-11(9(13)6-15-16)12(17)8-4-3-5-10(8)14/h6-8,10H,3-5,14H2,1-2H3
InChIKeyHBRWTMQWBIJYOT-UHFFFAOYSA-N
XLogP2.43
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-3-ylmethanone
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1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
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(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopentyl)methanone
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3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
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2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethylbutan-1-one
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Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of (2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone (CID 114669693) is (2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for (2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for (2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone is CC(C)n1ncc(Cl)c1C(=O)C1CCCC1N.
What is the InChIKey of (2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is HBRWTMQWBIJYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-7(2)16-11(9(13)6-15-16)12(17)8-4-3-5-10(8)14/h6-8,10H,3-5,14H2,1-2H3.
What are the key properties of (2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone?
(2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 255.75 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 114669693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).