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

C12H20ClN3O — CID 114671285

IUPAC5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
SMILESCCCn1ncc(Cl)c1C(=O)C(C)CCCN
InChIInChI=1S/C12H20ClN3O/c1-3-7-16-11(10(13)8-15-16)12(17)9(2)5-4-6-14/h8-9H,3-7,14H2,1-2H3
InChIKeyNOCNYRYHPQJXTN-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.50
Rot. Bonds7

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

5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one (PubChem CID 114671285) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
PubChem CID114671285
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
SMILESCCCn1ncc(Cl)c1C(=O)C(C)CCCN
InChIInChI=1S/C12H20ClN3O/c1-3-7-16-11(10(13)8-15-16)12(17)9(2)5-4-6-14/h8-9H,3-7,14H2,1-2H3
InChIKeyNOCNYRYHPQJXTN-UHFFFAOYSA-N
XLogP2.50
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670411
2-(aminomethyl)-1-(4-chloro-1-propylpyrazol-5-yl)-3-methylbutan-1-one
CID 114669398
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)hexan-1-one
CID 114668173
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670407
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one
CID 114642546
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one
CID 114669598
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one
CID 114669423
1-(4-chloro-1-propylpyrazol-5-yl)octan-1-one
CID 115805677
1-(4-chloro-1-propylpyrazol-5-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 114640482
3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114668938

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one (CID 114671285) is 5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one is CCCn1ncc(Cl)c1C(=O)C(C)CCCN.
What is the InChIKey of 5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one?
The InChIKey is NOCNYRYHPQJXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-3-7-16-11(10(13)8-15-16)12(17)9(2)5-4-6-14/h8-9H,3-7,14H2,1-2H3.
What are the key properties of 5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one?
5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one has a molecular weight of 257.76 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one is sourced from PubChem (CID 114671285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).