(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone

C14H20ClN3O — CID 114669718

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C14H20ClN3O/c1-2-5-18-13(10(15)7-17-18)14(19)11-8-3-4-9(6-8)12(11)16/h7-9,11-12H,2-6,16H2,1H3
InChIKeyNKQKNDUYXLHSQE-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.50
Rot. Bonds4

About (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone (PubChem CID 114669718) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
PubChem CID114669718
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C14H20ClN3O/c1-2-5-18-13(10(15)7-17-18)14(19)11-8-3-4-9(6-8)12(11)16/h7-9,11-12H,2-6,16H2,1H3
InChIKeyNKQKNDUYXLHSQE-UHFFFAOYSA-N
XLogP2.50
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminocyclopent-2-en-1-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669928
(3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669155
(4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
CID 114640796
(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 114641985
2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one
CID 114668636
(4-chloro-1-propylpyrazol-5-yl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 114642014
(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone
CID 114640551
(3-amino-2-bicyclo[2.2.1]heptanyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464166
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone
CID 114640840
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
(4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
CID 114641477

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone (CID 114669718) is (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone is CCCn1ncc(Cl)c1C(=O)C1C2CCC(C2)C1N.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The InChIKey is NKQKNDUYXLHSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-5-18-13(10(15)7-17-18)14(19)11-8-3-4-9(6-8)12(11)16/h7-9,11-12H,2-6,16H2,1H3.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone has a molecular weight of 281.79 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 114669718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).