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

C14H22ClN3O — CID 114670428

IUPAC(2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCC(C)n1ncc(Cl)c1C(=O)C1CCCCCC1N
InChIInChI=1S/C14H22ClN3O/c1-9(2)18-13(11(15)8-17-18)14(19)10-6-4-3-5-7-12(10)16/h8-10,12H,3-7,16H2,1-2H3
InChIKeyZWGFXYSVVYBSAJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.21
Rot. Bonds3

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

(2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 114670428) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is (2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
PubChem CID114670428
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name(2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCC(C)n1ncc(Cl)c1C(=O)C1CCCCCC1N
InChIInChI=1S/C14H22ClN3O/c1-9(2)18-13(11(15)8-17-18)14(19)10-6-4-3-5-7-12(10)16/h8-10,12H,3-7,16H2,1-2H3
InChIKeyZWGFXYSVVYBSAJ-UHFFFAOYSA-N
XLogP3.21
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2-aminocyclohexyl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
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(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-3-ylmethanone
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(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone
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1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
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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
CID 114641341
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-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of (2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone (CID 114670428) is (2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for (2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for (2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone is CC(C)n1ncc(Cl)c1C(=O)C1CCCCCC1N.
What is the InChIKey of (2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is ZWGFXYSVVYBSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-9(2)18-13(11(15)8-17-18)14(19)10-6-4-3-5-7-12(10)16/h8-10,12H,3-7,16H2,1-2H3.
What are the key properties of (2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone?
(2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 283.80 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 114670428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).