1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

C17H24N6O — CID 94029232

IUPAC1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESC[C@@H](Cn1cccn1)NC(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H24N6O/c1-14(13-23-10-4-7-20-23)21-17(24)19-12-15-5-6-16(18-11-15)22-8-2-3-9-22/h4-7,10-11,14H,2-3,8-9,12-13H2,1H3,(H2,19,21,24)/t14-/m0/s1
InChIKeyUVBOFGFWLRNOCN-AWEZNQCLSA-N
MW328.42 g/mol
LogP1.77
Rot. Bonds6

About 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (PubChem CID 94029232) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
PubChem CID94029232
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESC[C@@H](Cn1cccn1)NC(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H24N6O/c1-14(13-23-10-4-7-20-23)21-17(24)19-12-15-5-6-16(18-11-15)22-8-2-3-9-22/h4-7,10-11,14H,2-3,8-9,12-13H2,1H3,(H2,19,21,24)/t14-/m0/s1
InChIKeyUVBOFGFWLRNOCN-AWEZNQCLSA-N
XLogP1.77
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94196829
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 94172337
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 94164669
1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94101958
1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94206278
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110892395
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111504542
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 71894772
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 94173510
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (CID 94029232) is 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is C[C@@H](Cn1cccn1)NC(=O)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is UVBOFGFWLRNOCN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N6O/c1-14(13-23-10-4-7-20-23)21-17(24)19-12-15-5-6-16(18-11-15)22-8-2-3-9-22/h4-7,10-11,14H,2-3,8-9,12-13H2,1H3,(H2,19,21,24)/t14-/m0/s1.
What are the key properties of 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 328.42 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 94029232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).