4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide

C16H21BrN4O — CID 120562650

IUPAC4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide
SMILESCCc1c(NC(=O)CCC(C)N)n[nH]c1-c1ccc(Br)cc1
InChIInChI=1S/C16H21BrN4O/c1-3-13-15(11-5-7-12(17)8-6-11)20-21-16(13)19-14(22)9-4-10(2)18/h5-8,10H,3-4,9,18H2,1-2H3,(H2,19,20,21,22)
InChIKeyFYRFBZDQHHACPT-UHFFFAOYSA-N
MW365.28 g/mol
LogP3.47
Rot. Bonds6

About 4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide

4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide (PubChem CID 120562650) has the molecular formula C16H21BrN4O and a molecular weight of 365.28 g/mol. Its IUPAC name is 4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide
PubChem CID120562650
Molecular FormulaC16H21BrN4O
Molecular Weight365.28 g/mol
Exact Mass364.09
IUPAC Name4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide
SMILESCCc1c(NC(=O)CCC(C)N)n[nH]c1-c1ccc(Br)cc1
InChIInChI=1S/C16H21BrN4O/c1-3-13-15(11-5-7-12(17)8-6-11)20-21-16(13)19-14(22)9-4-10(2)18/h5-8,10H,3-4,9,18H2,1-2H3,(H2,19,20,21,22)
InChIKeyFYRFBZDQHHACPT-UHFFFAOYSA-N
XLogP3.47
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-2-methylbutanamide
CID 120500818
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)pentanamide
CID 104617963
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide
CID 104618844
3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 166581224
N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 175937897
4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559345
N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide
CID 71845175
4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride
CID 120559836
ethyl 3-[(4-bromobenzoyl)amino]-5-phenyl-1H-pyrazole-4-carboxylate
CID 66557736
4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride
CID 120559402
N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 100906616

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide?
The IUPAC name of 4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide (CID 120562650) is 4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide.
What is the SMILES notation for 4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide?
The canonical SMILES for 4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide is CCc1c(NC(=O)CCC(C)N)n[nH]c1-c1ccc(Br)cc1.
What is the InChIKey of 4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide?
The InChIKey is FYRFBZDQHHACPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4O/c1-3-13-15(11-5-7-12(17)8-6-11)20-21-16(13)19-14(22)9-4-10(2)18/h5-8,10H,3-4,9,18H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide?
4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide has a molecular weight of 365.28 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide is sourced from PubChem (CID 120562650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).