1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea

C15H21N5O — CID 69260543

IUPAC1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea
SMILESCCCNC(=O)N(CC)c1cn(-c2cccnc2)nc1C
InChIInChI=1S/C15H21N5O/c1-4-8-17-15(21)19(5-2)14-11-20(18-12(14)3)13-7-6-9-16-10-13/h6-7,9-11H,4-5,8H2,1-3H3,(H,17,21)
InChIKeySCLRTRMNOLCEQN-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.52
Rot. Bonds5

About 1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea

1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea (PubChem CID 69260543) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea.

Molecular Properties

Compound Name1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea
PubChem CID69260543
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea
SMILESCCCNC(=O)N(CC)c1cn(-c2cccnc2)nc1C
InChIInChI=1S/C15H21N5O/c1-4-8-17-15(21)19(5-2)14-11-20(18-12(14)3)13-7-6-9-16-10-13/h6-7,9-11H,4-5,8H2,1-3H3,(H,17,21)
InChIKeySCLRTRMNOLCEQN-UHFFFAOYSA-N
XLogP2.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-difluoroethylamino)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide
CID 118945684
N-ethyl-4,4,4-trifluoro-3-hydroxy-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)butanamide
CID 86664687
1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
CID 90359830
N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide
CID 69260848
tert-butyl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate
CID 71519697
(2E)-N-ethyl-2-methoxyimino-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanamide
CID 118027545
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-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluoro-2-methylbutanamide
CID 118023218
N-ethyl-2-methoxyimino-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(4,4,4-trifluorobutylsulfanyl)propanamide
CID 123651903
N-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluorobutanamide
CID 118023947
[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-propylcarbamic acid
CID 118023775

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea?
The IUPAC name of 1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea (CID 69260543) is 1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea.
What is the SMILES notation for 1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea?
The canonical SMILES for 1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea is CCCNC(=O)N(CC)c1cn(-c2cccnc2)nc1C.
What is the InChIKey of 1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea?
The InChIKey is SCLRTRMNOLCEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-8-17-15(21)19(5-2)14-11-20(18-12(14)3)13-7-6-9-16-10-13/h6-7,9-11H,4-5,8H2,1-3H3,(H,17,21).
What are the key properties of 1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea?
1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea has a molecular weight of 287.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea is sourced from PubChem (CID 69260543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).