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

C14H19N5O — CID 94101958

IUPAC1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESCc1ccc(CNC(=O)N[C@H](C)Cn2cccn2)cn1
InChIInChI=1S/C14H19N5O/c1-11-4-5-13(8-15-11)9-16-14(20)18-12(2)10-19-7-3-6-17-19/h3-8,12H,9-10H2,1-2H3,(H2,16,18,20)/t12-/m1/s1
InChIKeyPECDPVUTPQUKOK-GFCCVEGCSA-N
MW273.34 g/mol
LogP1.47
Rot. Bonds5

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

1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (PubChem CID 94101958) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
PubChem CID94101958
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESCc1ccc(CNC(=O)N[C@H](C)Cn2cccn2)cn1
InChIInChI=1S/C14H19N5O/c1-11-4-5-13(8-15-11)9-16-14(20)18-12(2)10-19-7-3-6-17-19/h3-8,12H,9-10H2,1-2H3,(H2,16,18,20)/t12-/m1/s1
InChIKeyPECDPVUTPQUKOK-GFCCVEGCSA-N
XLogP1.47
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 164608769
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CID 53236674
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CID 53236676
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CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
1-(2-Phenylpyrazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea
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CID 155749655
N-(pyridin-2-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309885
1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethyl)-3-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)urea
CID 45273802
N-[2-(1-phenylpyrazol-3-yl)ethyl]azetidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (CID 94101958) is 1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is Cc1ccc(CNC(=O)N[C@H](C)Cn2cccn2)cn1.
What is the InChIKey of 1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The InChIKey is PECDPVUTPQUKOK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-4-5-13(8-15-11)9-16-14(20)18-12(2)10-19-7-3-6-17-19/h3-8,12H,9-10H2,1-2H3,(H2,16,18,20)/t12-/m1/s1.
What are the key properties of 1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea has a molecular weight of 273.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 94101958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).