1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea

C14H13N5OS — CID 47040725

IUPAC1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C14H13N5OS/c20-14(16-10-12-3-1-8-21-12)18-11-4-5-13(15-9-11)19-7-2-6-17-19/h1-9H,10H2,(H2,16,18,20)
InChIKeyDHLGHJSAYDROHL-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.65
Rot. Bonds4

About 1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea

1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 47040725) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID47040725
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C14H13N5OS/c20-14(16-10-12-3-1-8-21-12)18-11-4-5-13(15-9-11)19-7-2-6-17-19/h1-9H,10H2,(H2,16,18,20)
InChIKeyDHLGHJSAYDROHL-UHFFFAOYSA-N
XLogP2.65
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-pyrazol-1-yl-3-pyridinyl)-3-(pyridin-2-ylmethyl)urea
CID 47040705
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55522584
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94167183
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94179429
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
(2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 38951277
5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide
CID 78948608
4-ethyl-N-(6-pyrazol-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 146131318
1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 71895021
2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 79285864

Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea (CID 47040725) is 1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of 1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is DHLGHJSAYDROHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c20-14(16-10-12-3-1-8-21-12)18-11-4-5-13(15-9-11)19-7-2-6-17-19/h1-9H,10H2,(H2,16,18,20).
What are the key properties of 1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea?
1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 299.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 47040725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).