3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide

C11H13Cl2N5O — CID 19283459

IUPAC3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
SMILESO=C(CCn1cc(Cl)cn1)NCCn1cc(Cl)cn1
InChIInChI=1S/C11H13Cl2N5O/c12-9-5-15-17(7-9)3-1-11(19)14-2-4-18-8-10(13)6-16-18/h5-8H,1-4H2,(H,14,19)
InChIKeyQQQAHGUXLQGHCY-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.59
Rot. Bonds6

About 3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide

3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide (PubChem CID 19283459) has the molecular formula C11H13Cl2N5O and a molecular weight of 302.17 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
PubChem CID19283459
Molecular FormulaC11H13Cl2N5O
Molecular Weight302.17 g/mol
Exact Mass301.05
IUPAC Name3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
SMILESO=C(CCn1cc(Cl)cn1)NCCn1cc(Cl)cn1
InChIInChI=1S/C11H13Cl2N5O/c12-9-5-15-17(7-9)3-1-11(19)14-2-4-18-8-10(13)6-16-18/h5-8H,1-4H2,(H,14,19)
InChIKeyQQQAHGUXLQGHCY-UHFFFAOYSA-N
XLogP1.59
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
N-butyl-3-(4-chloropyrazol-1-yl)propanamide
CID 19539689
3-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283451
3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 19542099
1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622359
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539616
3-(4-chloro-3-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19544146
N-[2-(4-chloropyrazol-1-yl)ethyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19283446
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283470
2-(4-chlorophenoxy)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283314
methyl 3-(4-chloropyrazol-1-yl)propanoate
CID 7017157
3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19554002

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide (CID 19283459) is 3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide is O=C(CCn1cc(Cl)cn1)NCCn1cc(Cl)cn1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide?
The InChIKey is QQQAHGUXLQGHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5O/c12-9-5-15-17(7-9)3-1-11(19)14-2-4-18-8-10(13)6-16-18/h5-8H,1-4H2,(H,14,19).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide?
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide has a molecular weight of 302.17 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 19283459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).