3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea

C20H23N5OS — CID 97280028

IUPAC3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea
SMILESC[C@H](C1CC1)n1nccc1NC(=O)N(Cc1cccnc1)Cc1ccsc1
InChIInChI=1S/C20H23N5OS/c1-15(18-4-5-18)25-19(6-9-22-25)23-20(26)24(13-17-7-10-27-14-17)12-16-3-2-8-21-11-16/h2-3,6-11,14-15,18H,4-5,12-13H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyWPGLTRSUAGIGRD-OAHLLOKOSA-N
MW381.51 g/mol
LogP4.54
Rot. Bonds7

About 3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea

3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea (PubChem CID 97280028) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea
PubChem CID97280028
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea
SMILESC[C@H](C1CC1)n1nccc1NC(=O)N(Cc1cccnc1)Cc1ccsc1
InChIInChI=1S/C20H23N5OS/c1-15(18-4-5-18)25-19(6-9-22-25)23-20(26)24(13-17-7-10-27-14-17)12-16-3-2-8-21-11-16/h2-3,6-11,14-15,18H,4-5,12-13H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyWPGLTRSUAGIGRD-OAHLLOKOSA-N
XLogP4.54
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea with MolForge

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Related Compounds

N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide
CID 74237314
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CID 30183297
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
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N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 50980902
N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide
CID 97310300
N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide
CID 39952479
2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
CID 56510286
2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
CID 112771337
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 26340017
N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 47110779
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 112761641
3-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911922

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea (CID 97280028) is 3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea is C[C@H](C1CC1)n1nccc1NC(=O)N(Cc1cccnc1)Cc1ccsc1.
What is the InChIKey of 3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea?
The InChIKey is WPGLTRSUAGIGRD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-15(18-4-5-18)25-19(6-9-22-25)23-20(26)24(13-17-7-10-27-14-17)12-16-3-2-8-21-11-16/h2-3,6-11,14-15,18H,4-5,12-13H2,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of 3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea?
3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea has a molecular weight of 381.51 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 97280028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).