4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

C10H16BrN3O — CID 19267324

IUPAC4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C10H16BrN3O/c1-4-14-6-8(11)9(13-14)10(15)12-5-7(2)3/h6-7H,4-5H2,1-3H3,(H,12,15)
InChIKeySYYOVHHHPYFGMS-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.05
Rot. Bonds4

About 4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 19267324) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID19267324
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C10H16BrN3O/c1-4-14-6-8(11)9(13-14)10(15)12-5-7(2)3/h6-7H,4-5H2,1-3H3,(H,12,15)
InChIKeySYYOVHHHPYFGMS-UHFFFAOYSA-N
XLogP2.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(butylcarbamoylamino)-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19448031
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468432
1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402598
4-bromo-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 19267283
4-bromo-1-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390227
4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19525036
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-bromo-1-ethylpyrazole-3-carboxamide
CID 98224369
(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)-3-(dimethylamino)prop-2-en-1-one
CID 17024621
4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide
CID 167451248
4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 973635
N-(1-adamantyl)-4-bromo-1-ethylpyrazole-3-carboxamide
CID 19267269
4-bromo-1-ethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide
CID 138008830

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 19267324) is 4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is SYYOVHHHPYFGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-4-14-6-8(11)9(13-14)10(15)12-5-7(2)3/h6-7H,4-5H2,1-3H3,(H,12,15).
What are the key properties of 4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).