2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one

C12H18ClN3O — CID 114668636

IUPAC2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one
SMILESCCCn1ncc(Cl)c1C(=O)C(C)(N)C1CC1
InChIInChI=1S/C12H18ClN3O/c1-3-6-16-10(9(13)7-15-16)11(17)12(2,14)8-4-5-8/h7-8H,3-6,14H2,1-2H3
InChIKeyQSOWLMAGMGKOKO-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.26
Rot. Bonds5

About 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one

2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one (PubChem CID 114668636) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one
PubChem CID114668636
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one
SMILESCCCn1ncc(Cl)c1C(=O)C(C)(N)C1CC1
InChIInChI=1S/C12H18ClN3O/c1-3-6-16-10(9(13)7-15-16)11(17)12(2,14)8-4-5-8/h7-8H,3-6,14H2,1-2H3
InChIKeyQSOWLMAGMGKOKO-UHFFFAOYSA-N
XLogP2.26
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one
CID 114668630
2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
CID 114668567
1-(4-chloro-1-propylpyrazol-5-yl)-2-(dimethylamino)-2-methylpropan-1-one
CID 114641062
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 114641210
2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol
CID 114637796
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one
CID 114668566
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669718
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
(3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669155
(4-chloro-1-propylpyrazol-5-yl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 114642014
(4-aminocyclopent-2-en-1-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669928

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one?
The IUPAC name of 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one (CID 114668636) is 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one.
What is the SMILES notation for 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one?
The canonical SMILES for 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one is CCCn1ncc(Cl)c1C(=O)C(C)(N)C1CC1.
What is the InChIKey of 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one?
The InChIKey is QSOWLMAGMGKOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-6-16-10(9(13)7-15-16)11(17)12(2,14)8-4-5-8/h7-8H,3-6,14H2,1-2H3.
What are the key properties of 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one?
2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one has a molecular weight of 255.75 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one is sourced from PubChem (CID 114668636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).