(E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide

C14H19N5O — CID 844505

IUPAC(E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCCn1nc(C)c(NC(=O)/C=C/c2cnn(C)c2)c1C
InChIInChI=1S/C14H19N5O/c1-5-19-11(3)14(10(2)17-19)16-13(20)7-6-12-8-15-18(4)9-12/h6-9H,5H2,1-4H3,(H,16,20)/b7-6+
InChIKeyAGIHTEBHIYITCA-VOTSOKGWSA-N
MW273.34 g/mol
LogP1.91
Rot. Bonds4

About (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide

(E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 844505) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
PubChem CID844505
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCCn1nc(C)c(NC(=O)/C=C/c2cnn(C)c2)c1C
InChIInChI=1S/C14H19N5O/c1-5-19-11(3)14(10(2)17-19)16-13(20)7-6-12-8-15-18(4)9-12/h6-9H,5H2,1-4H3,(H,16,20)/b7-6+
InChIKeyAGIHTEBHIYITCA-VOTSOKGWSA-N
XLogP1.91
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-(1-ethyl-1H-pyrazol-4-yl)acrylamide
CID 844489
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-(1-methyl-1H-pyrazol-4-yl)acrylamide
CID 844520
(E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 844533
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-(1-ethyl-1H-pyrazol-4-yl)acrylamide
CID 1001179
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyl-1H-pyrazol-4-yl)acrylamide
CID 1235959
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acrylamide
CID 844536
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acrylamide
CID 844508
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acrylamide
CID 844788
3-(1-ethyl-1H-pyrazol-4-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acrylamide
CID 1235974
3-(1,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)acrylamide
CID 844487
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazole-4-carboxamide
CID 43547009
(E)-3-(1-ethylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enamide
CID 5891488

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide (CID 844505) is (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide is CCn1nc(C)c(NC(=O)/C=C/c2cnn(C)c2)c1C.
What is the InChIKey of (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is AGIHTEBHIYITCA-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H19N5O/c1-5-19-11(3)14(10(2)17-19)16-13(20)7-6-12-8-15-18(4)9-12/h6-9H,5H2,1-4H3,(H,16,20)/b7-6+.
What are the key properties of (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide?
(E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 273.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 844505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).