1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea

C17H25N5O2 — CID 95616355

IUPAC1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea
SMILESCCCOc1ccc(CNC(=O)N[C@H](C)c2cn(C)nc2C)cn1
InChIInChI=1S/C17H25N5O2/c1-5-8-24-16-7-6-14(9-18-16)10-19-17(23)20-12(2)15-11-22(4)21-13(15)3/h6-7,9,11-12H,5,8,10H2,1-4H3,(H2,19,20,23)/t12-/m1/s1
InChIKeyMOXSTAZKUXLVGV-GFCCVEGCSA-N
MW331.42 g/mol
LogP2.47
Rot. Bonds7

About 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea

1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea (PubChem CID 95616355) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea
PubChem CID95616355
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea
SMILESCCCOc1ccc(CNC(=O)N[C@H](C)c2cn(C)nc2C)cn1
InChIInChI=1S/C17H25N5O2/c1-5-8-24-16-7-6-14(9-18-16)10-19-17(23)20-12(2)15-11-22(4)21-13(15)3/h6-7,9,11-12H,5,8,10H2,1-4H3,(H2,19,20,23)/t12-/m1/s1
InChIKeyMOXSTAZKUXLVGV-GFCCVEGCSA-N
XLogP2.47
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea (CID 95616355) is 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea is CCCOc1ccc(CNC(=O)N[C@H](C)c2cn(C)nc2C)cn1.
What is the InChIKey of 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea?
The InChIKey is MOXSTAZKUXLVGV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-5-8-24-16-7-6-14(9-18-16)10-19-17(23)20-12(2)15-11-22(4)21-13(15)3/h6-7,9,11-12H,5,8,10H2,1-4H3,(H2,19,20,23)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea?
1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea has a molecular weight of 331.42 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(6-propoxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 95616355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).