1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

C20H28N6O — CID 124619687

IUPAC1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
SMILESC[C@H](C1CC1)n1nccc1NC(=O)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H28N6O/c1-15(16-5-6-16)26-19(7-11-22-26)24-20(27)23-17-8-12-25(13-9-17)14-18-4-2-3-10-21-18/h2-4,7,10-11,15-17H,5-6,8-9,12-14H2,1H3,(H2,23,24,27)/t15-/m1/s1
InChIKeyGTFFSVJOEODECQ-OAHLLOKOSA-N
MW368.49 g/mol
LogP3.04
Rot. Bonds6

About 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea (PubChem CID 124619687) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
PubChem CID124619687
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
SMILESC[C@H](C1CC1)n1nccc1NC(=O)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H28N6O/c1-15(16-5-6-16)26-19(7-11-22-26)24-20(27)23-17-8-12-25(13-9-17)14-18-4-2-3-10-21-18/h2-4,7,10-11,15-17H,5-6,8-9,12-14H2,1H3,(H2,23,24,27)/t15-/m1/s1
InChIKeyGTFFSVJOEODECQ-OAHLLOKOSA-N
XLogP3.04
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea with MolForge

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Related Compounds

1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111120941
1-(3-bromo-4-methylphenyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 78889744
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111479509
1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 97086567
2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide
CID 55858867
1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea
CID 108813846
4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858736
1-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 119034271
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea
CID 97248271
1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47103204

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea (CID 124619687) is 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea is C[C@H](C1CC1)n1nccc1NC(=O)NC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The InChIKey is GTFFSVJOEODECQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15(16-5-6-16)26-19(7-11-22-26)24-20(27)23-17-8-12-25(13-9-17)14-18-4-2-3-10-21-18/h2-4,7,10-11,15-17H,5-6,8-9,12-14H2,1H3,(H2,23,24,27)/t15-/m1/s1.
What are the key properties of 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea has a molecular weight of 368.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 124619687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).