3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide

C13H18ClN5O2 — CID 19570569

IUPAC3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide
SMILESCCOCn1cc(NC(=O)C(C)Cn2cc(Cl)cn2)cn1
InChIInChI=1S/C13H18ClN5O2/c1-3-21-9-19-8-12(5-16-19)17-13(20)10(2)6-18-7-11(14)4-15-18/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,17,20)
InChIKeyBGPXUSQPLNSZIN-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.00
Rot. Bonds7

About 3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide

3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide (PubChem CID 19570569) has the molecular formula C13H18ClN5O2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide
PubChem CID19570569
Molecular FormulaC13H18ClN5O2
Molecular Weight311.77 g/mol
Exact Mass311.11
IUPAC Name3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide
SMILESCCOCn1cc(NC(=O)C(C)Cn2cc(Cl)cn2)cn1
InChIInChI=1S/C13H18ClN5O2/c1-3-21-9-19-8-12(5-16-19)17-13(20)10(2)6-18-7-11(14)4-15-18/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,17,20)
InChIKeyBGPXUSQPLNSZIN-UHFFFAOYSA-N
XLogP2.00
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]acetamide
CID 19525078
3-(4-chloropyrazol-1-yl)-N-[4-(diethylamino)phenyl]-2-methylpropanamide
CID 19570296
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide
CID 19562367
3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 19570403
3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide
CID 19566294
3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide
CID 19570325
(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 35535310
ethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 19570396
2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340469
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide
CID 19532067
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262670
2-(4-chloropyrazol-1-yl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide
CID 19538631

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide (CID 19570569) is 3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide is CCOCn1cc(NC(=O)C(C)Cn2cc(Cl)cn2)cn1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide?
The InChIKey is BGPXUSQPLNSZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O2/c1-3-21-9-19-8-12(5-16-19)17-13(20)10(2)6-18-7-11(14)4-15-18/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,17,20).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide?
3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide has a molecular weight of 311.77 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 19570569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).