1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea

C14H19N5O — CID 94167183

IUPAC1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
SMILESCC(C)[C@H](C)NC(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C14H19N5O/c1-10(2)11(3)17-14(20)18-12-5-6-13(15-9-12)19-8-4-7-16-19/h4-11H,1-3H3,(H2,17,18,20)/t11-/m0/s1
InChIKeyPIKLBAYIUVEXGC-NSHDSACASA-N
MW273.34 g/mol
LogP2.43
Rot. Bonds4

About 1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea

1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea (PubChem CID 94167183) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
PubChem CID94167183
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
SMILESCC(C)[C@H](C)NC(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C14H19N5O/c1-10(2)11(3)17-14(20)18-12-5-6-13(15-9-12)19-8-4-7-16-19/h4-11H,1-3H3,(H2,17,18,20)/t11-/m0/s1
InChIKeyPIKLBAYIUVEXGC-NSHDSACASA-N
XLogP2.43
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94166977
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95198776
(2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 38951277
2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119842771
2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 46548668
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
(2R)-2-methoxy-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 95279874
1-(6-pyrazol-1-yl-3-pyridinyl)-3-(pyridin-2-ylmethyl)urea
CID 47040705
1-(6-pyrazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylmethyl)urea
CID 47040725
4-amino-3-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 103154657

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea (CID 94167183) is 1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea is CC(C)[C@H](C)NC(=O)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of 1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
The InChIKey is PIKLBAYIUVEXGC-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5O/c1-10(2)11(3)17-14(20)18-12-5-6-13(15-9-12)19-8-4-7-16-19/h4-11H,1-3H3,(H2,17,18,20)/t11-/m0/s1.
What are the key properties of 1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea has a molecular weight of 273.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 94167183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).