3-(1,5-dimethylpyrazol-4-yl)-N,N-dimethylprop-2-enamide

C10H15N3O — CID 138114943

IUPAC3-(1,5-dimethylpyrazol-4-yl)-N,N-dimethylprop-2-enamide
SMILESCc1c(C=CC(=O)N(C)C)cnn1C
InChIInChI=1S/C10H15N3O/c1-8-9(7-11-13(8)4)5-6-10(14)12(2)3/h5-7H,1-4H3
InChIKeyOVRSJUGHSHHRRO-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.83
Rot. Bonds2

About 3-(1,5-dimethylpyrazol-4-yl)-N,N-dimethylprop-2-enamide

3-(1,5-dimethylpyrazol-4-yl)-N,N-dimethylprop-2-enamide (PubChem CID 138114943) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-N,N-dimethylprop-2-enamide
PubChem CID138114943
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-N,N-dimethylprop-2-enamide
SMILESCc1c(C=CC(=O)N(C)C)cnn1C
InChIInChI=1S/C10H15N3O/c1-8-9(7-11-13(8)4)5-6-10(14)12(2)3/h5-7H,1-4H3
InChIKeyOVRSJUGHSHHRRO-UHFFFAOYSA-N
XLogP0.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1,5-dimethylpyrazol-4-yl)prop-2-enoic acid
CID 5374061
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
CID 19567474
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one
CID 19565535
N-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)-N-(2-methylsulfonylethyl)prop-2-enamide
CID 127265750
(E)-1-(4-bromophenyl)-3-(1,5-dimethylpyrazol-4-yl)prop-2-en-1-one
CID 6220759
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(3-pyrrol-1-ylphenyl)prop-2-en-1-one
CID 19559203
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one
CID 86816068
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 17023046
3-(1,5-dimethylpyrazol-4-yl)-1-(5-ethylthiophen-2-yl)prop-2-en-1-one
CID 5062474
(Z)-3-(1,5-dimethylpyrazol-4-yl)-1-(5-ethylthiophen-2-yl)prop-2-en-1-one
CID 92956762
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1-methyl-4-nitropyrazol-3-yl)prop-2-en-1-one
CID 19543640
ethyl 2-[butan-2-yl-[(E)-3-(1,5-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17026612

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N,N-dimethylprop-2-enamide?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N,N-dimethylprop-2-enamide (CID 138114943) is 3-(1,5-dimethylpyrazol-4-yl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-N,N-dimethylprop-2-enamide is Cc1c(C=CC(=O)N(C)C)cnn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-N,N-dimethylprop-2-enamide?
The InChIKey is OVRSJUGHSHHRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-9(7-11-13(8)4)5-6-10(14)12(2)3/h5-7H,1-4H3.
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-N,N-dimethylprop-2-enamide?
3-(1,5-dimethylpyrazol-4-yl)-N,N-dimethylprop-2-enamide has a molecular weight of 193.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 138114943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).