3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide

C14H20BrN5O — CID 19584398

IUPAC3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
SMILESCCn1cc(CNC(=O)CCn2cc(Br)c(C)n2)c(C)n1
InChIInChI=1S/C14H20BrN5O/c1-4-19-8-12(10(2)17-19)7-16-14(21)5-6-20-9-13(15)11(3)18-20/h8-9H,4-7H2,1-3H3,(H,16,21)
InChIKeyDPOVHSFHTXQFGI-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.19
Rot. Bonds6

About 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide

3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 19584398) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
PubChem CID19584398
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
SMILESCCn1cc(CNC(=O)CCn2cc(Br)c(C)n2)c(C)n1
InChIInChI=1S/C14H20BrN5O/c1-4-19-8-12(10(2)17-19)7-16-14(21)5-6-20-9-13(15)11(3)18-20/h8-9H,4-7H2,1-3H3,(H,16,21)
InChIKeyDPOVHSFHTXQFGI-UHFFFAOYSA-N
XLogP2.19
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
CID 19550194
1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiourea
CID 19573058
3-(4-bromo-3-methylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide
CID 19292814
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
CID 19288572
4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 4777173
3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
CID 19556247
propan-2-yl 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate
CID 19404429
ethyl (E)-3-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]but-2-enoate
CID 19565725
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 19333233
3-(4-bromo-3-nitropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide
CID 19567881
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide
CID 19565773

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide (CID 19584398) is 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide is CCn1cc(CNC(=O)CCn2cc(Br)c(C)n2)c(C)n1.
What is the InChIKey of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is DPOVHSFHTXQFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c1-4-19-8-12(10(2)17-19)7-16-14(21)5-6-20-9-13(15)11(3)18-20/h8-9H,4-7H2,1-3H3,(H,16,21).
What are the key properties of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide?
3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 354.25 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 19584398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).