(E)-3-(1-ethylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide

C15H21N5O — CID 1235974

IUPAC(E)-3-(1-ethylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide
SMILESCCn1cc(/C=C/C(=O)NCc2c(C)nn(C)c2C)cn1
InChIInChI=1S/C15H21N5O/c1-5-20-10-13(8-17-20)6-7-15(21)16-9-14-11(2)18-19(4)12(14)3/h6-8,10H,5,9H2,1-4H3,(H,16,21)/b7-6+
InChIKeyRHBBICTYDWXOBF-VOTSOKGWSA-N
MW287.37 g/mol
LogP1.58
Rot. Bonds5

About (E)-3-(1-ethylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide

(E)-3-(1-ethylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide (PubChem CID 1235974) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (E)-3-(1-ethylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-ethylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide
PubChem CID1235974
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(E)-3-(1-ethylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide
SMILESCCn1cc(/C=C/C(=O)NCc2c(C)nn(C)c2C)cn1
InChIInChI=1S/C15H21N5O/c1-5-20-10-13(8-17-20)6-7-15(21)16-9-14-11(2)18-19(4)12(14)3/h6-8,10H,5,9H2,1-4H3,(H,16,21)/b7-6+
InChIKeyRHBBICTYDWXOBF-VOTSOKGWSA-N
XLogP1.58
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.58
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

(E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 844533
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-methyl-1H-pyrazol-4-yl)acrylamide
CID 844505
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acrylamide
CID 844788
3-(1,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)acrylamide
CID 844487
N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 37393007
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
N-[1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72874137
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 125515606
5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyridin-2-one
CID 138679468

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-ethylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(1-ethylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide (CID 1235974) is (E)-3-(1-ethylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-ethylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-ethylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide is CCn1cc(/C=C/C(=O)NCc2c(C)nn(C)c2C)cn1.
What is the InChIKey of (E)-3-(1-ethylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide?
The InChIKey is RHBBICTYDWXOBF-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H21N5O/c1-5-20-10-13(8-17-20)6-7-15(21)16-9-14-11(2)18-19(4)12(14)3/h6-8,10H,5,9H2,1-4H3,(H,16,21)/b7-6+.
What are the key properties of (E)-3-(1-ethylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide?
(E)-3-(1-ethylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide has a molecular weight of 287.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-ethylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 1235974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).