1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea

C16H17N5OS — CID 71797665

IUPAC1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESCn1nc(CNC(=O)NCc2cccs2)cc1-c1ccccn1
InChIInChI=1S/C16H17N5OS/c1-21-15(14-6-2-3-7-17-14)9-12(20-21)10-18-16(22)19-11-13-5-4-8-23-13/h2-9H,10-11H2,1H3,(H2,18,19,22)
InChIKeyPTJZYTHDBMPCIH-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.54
Rot. Bonds5

About 1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea

1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 71797665) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID71797665
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESCn1nc(CNC(=O)NCc2cccs2)cc1-c1ccccn1
InChIInChI=1S/C16H17N5OS/c1-21-15(14-6-2-3-7-17-14)9-12(20-21)10-18-16(22)19-11-13-5-4-8-23-13/h2-9H,10-11H2,1H3,(H2,18,19,22)
InChIKeyPTJZYTHDBMPCIH-UHFFFAOYSA-N
XLogP2.54
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US9687479, 281 2,2-dimethyl-1-[3-(pyridin-2-yl)-5-[(thiophen-2-ylmethyl)amino]-1H-pyrazol-1-yl]propan-1-one
CID 53491794
2,2-Dimethyl-1-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]propan-1-one
CID 140891695
[(5-Methyl-1-propylpyrazol-4-YL)methyl](pyridin-3-ylmethyl)(thiophen-2-ylmethyl)amine
CID 25806234
N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 45831685
N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 45831716
1-(5-methyl-1-propyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-N-(3-thienylmethyl)methanamine
CID 46982724
1-(Pyridin-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea
CID 47125534
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47220677
1-Ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea
CID 51075232
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 53504180
1-(6-Ethylsulfanyl-3-pyridinyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53574662
N-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine
CID 56822816

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea (CID 71797665) is 1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea is Cn1nc(CNC(=O)NCc2cccs2)cc1-c1ccccn1.
What is the InChIKey of 1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is PTJZYTHDBMPCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-21-15(14-6-2-3-7-17-14)9-12(20-21)10-18-16(22)19-11-13-5-4-8-23-13/h2-9H,10-11H2,1H3,(H2,18,19,22).
What are the key properties of 1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea?
1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 327.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71797665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).