(E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide

C15H20BrN5O — CID 19329977

IUPAC(E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
SMILESCCn1cc(/C=C/C(=O)NCCCn2cc(Br)c(C)n2)cn1
InChIInChI=1S/C15H20BrN5O/c1-3-20-10-13(9-18-20)5-6-15(22)17-7-4-8-21-11-14(16)12(2)19-21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,17,22)/b6-5+
InChIKeyXRDBKCXDOZQVOD-AATRIKPKSA-N
MW366.26 g/mol
LogP2.39
Rot. Bonds7

About (E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide

(E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide (PubChem CID 19329977) has the molecular formula C15H20BrN5O and a molecular weight of 366.26 g/mol. Its IUPAC name is (E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
PubChem CID19329977
Molecular FormulaC15H20BrN5O
Molecular Weight366.26 g/mol
Exact Mass365.09
IUPAC Name(E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
SMILESCCn1cc(/C=C/C(=O)NCCCn2cc(Br)c(C)n2)cn1
InChIInChI=1S/C15H20BrN5O/c1-3-20-10-13(9-18-20)5-6-15(22)17-7-4-8-21-11-14(16)12(2)19-21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,17,22)/b6-5+
InChIKeyXRDBKCXDOZQVOD-AATRIKPKSA-N
XLogP2.39
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylpyrazole-3-carboxamide
CID 19475447
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylbutanamide
CID 19329804
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-chloroacetamide
CID 19329976
4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide
CID 19475156
(E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19329117
(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19466719
(E)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 844492
(E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide
CID 19292658
(E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19297896
(E)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 19293644
(E)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
CID 19330190
4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266293

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide (CID 19329977) is (E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide is CCn1cc(/C=C/C(=O)NCCCn2cc(Br)c(C)n2)cn1.
What is the InChIKey of (E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is XRDBKCXDOZQVOD-AATRIKPKSA-N. The full InChI is InChI=1S/C15H20BrN5O/c1-3-20-10-13(9-18-20)5-6-15(22)17-7-4-8-21-11-14(16)12(2)19-21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,17,22)/b6-5+.
What are the key properties of (E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
(E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 366.26 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 19329977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).