(E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide

C15H20BrN5O — CID 19460459

IUPAC(E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide
SMILESCCn1cc(/C=C/C(=O)N(C)Cc2c(Br)cnn2CC)cn1
InChIInChI=1S/C15H20BrN5O/c1-4-20-10-12(8-17-20)6-7-15(22)19(3)11-14-13(16)9-18-21(14)5-2/h6-10H,4-5,11H2,1-3H3/b7-6+
InChIKeyXJKVOUPEOMDTKY-VOTSOKGWSA-N
MW366.26 g/mol
LogP2.55
Rot. Bonds6

About (E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide

(E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide (PubChem CID 19460459) has the molecular formula C15H20BrN5O and a molecular weight of 366.26 g/mol. Its IUPAC name is (E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide
PubChem CID19460459
Molecular FormulaC15H20BrN5O
Molecular Weight366.26 g/mol
Exact Mass365.09
IUPAC Name(E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide
SMILESCCn1cc(/C=C/C(=O)N(C)Cc2c(Br)cnn2CC)cn1
InChIInChI=1S/C15H20BrN5O/c1-4-20-10-12(8-17-20)6-7-15(22)19(3)11-14-13(16)9-18-21(14)5-2/h6-10H,4-5,11H2,1-3H3/b7-6+
InChIKeyXJKVOUPEOMDTKY-VOTSOKGWSA-N
XLogP2.55
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 19458393
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide
CID 19460410
1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide
CID 19339991
4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 19515419
(E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19329977
ethyl (E)-3-(1-ethylpyrazol-4-yl)prop-2-enoate
CID 118170825
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,2,4-trimethylbenzamide
CID 19460411
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide
CID 19460376
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 19460413
(E)-1-(4-bromo-5-propylthiophen-2-yl)-3-(1-ethylpyrazol-4-yl)prop-2-en-1-one
CID 19544850
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide
CID 19507729
(E)-3-(1-ethylpyrazol-4-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19584527

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide (CID 19460459) is (E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide is CCn1cc(/C=C/C(=O)N(C)Cc2c(Br)cnn2CC)cn1.
What is the InChIKey of (E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide?
The InChIKey is XJKVOUPEOMDTKY-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H20BrN5O/c1-4-20-10-12(8-17-20)6-7-15(22)19(3)11-14-13(16)9-18-21(14)5-2/h6-10H,4-5,11H2,1-3H3/b7-6+.
What are the key properties of (E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide?
(E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide has a molecular weight of 366.26 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 19460459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).