1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea

C14H17N5O — CID 90359830

IUPAC1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)N(C)c1cn(-c2cccnc2)nc1C
InChIInChI=1S/C14H17N5O/c1-4-7-16-14(20)18(3)13-10-19(17-11(13)2)12-6-5-8-15-9-12/h4-6,8-10H,1,7H2,2-3H3,(H,16,20)
InChIKeyMKTDRMRAVAHZAR-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.91
Rot. Bonds4

About 1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea

1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea (PubChem CID 90359830) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
PubChem CID90359830
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)N(C)c1cn(-c2cccnc2)nc1C
InChIInChI=1S/C14H17N5O/c1-4-7-16-14(20)18(3)13-10-19(17-11(13)2)12-6-5-8-15-9-12/h4-6,8-10H,1,7H2,2-3H3,(H,16,20)
InChIKeyMKTDRMRAVAHZAR-UHFFFAOYSA-N
XLogP1.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
CID 90359810
1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea
CID 69260543
5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide
CID 122495870
N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
CID 144831982
N-ethyl-4,4,4-trifluoro-3-hydroxy-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)butanamide
CID 86664687
3-(2,2-difluoroethylamino)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide
CID 118945684
tert-butyl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate
CID 71519697
3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine
CID 67499762
N-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide
CID 69260896
N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide
CID 69260848
2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate
CID 90359834
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2,2-trimethyl-3-methylsulfanylpropanamide
CID 86705839

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea?
The IUPAC name of 1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea (CID 90359830) is 1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea.
What is the SMILES notation for 1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea?
The canonical SMILES for 1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea is C=CCNC(=O)N(C)c1cn(-c2cccnc2)nc1C.
What is the InChIKey of 1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea?
The InChIKey is MKTDRMRAVAHZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-4-7-16-14(20)18(3)13-10-19(17-11(13)2)12-6-5-8-15-9-12/h4-6,8-10H,1,7H2,2-3H3,(H,16,20).
What are the key properties of 1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea?
1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea has a molecular weight of 271.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea is sourced from PubChem (CID 90359830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).