1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea

C13H17N5O — CID 47200410

IUPAC1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
SMILESCCn1cc(NC(=O)NC(C)c2ccncc2)cn1
InChIInChI=1S/C13H17N5O/c1-3-18-9-12(8-15-18)17-13(19)16-10(2)11-4-6-14-7-5-11/h4-10H,3H2,1-2H3,(H2,16,17,19)
InChIKeyJSIUYBAGVBLBBZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.18
Rot. Bonds4

About 1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea

1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea (PubChem CID 47200410) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
PubChem CID47200410
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
SMILESCCn1cc(NC(=O)NC(C)c2ccncc2)cn1
InChIInChI=1S/C13H17N5O/c1-3-18-9-12(8-15-18)17-13(19)16-10(2)11-4-6-14-7-5-11/h4-10H,3H2,1-2H3,(H2,16,17,19)
InChIKeyJSIUYBAGVBLBBZ-UHFFFAOYSA-N
XLogP2.18
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 94797599
1-[(1S)-1-(4-ethylphenyl)ethyl]-3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]urea
CID 95786593
(2R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 79009865
1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea
CID 61339861
(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965883
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 94779080
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 61209725
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95130176
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 95130177
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea
CID 86987830

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea (CID 47200410) is 1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea is CCn1cc(NC(=O)NC(C)c2ccncc2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is JSIUYBAGVBLBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-18-9-12(8-15-18)17-13(19)16-10(2)11-4-6-14-7-5-11/h4-10H,3H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea?
1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 259.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 47200410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).