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

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

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Related Compounds

1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 126776837
1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea
CID 154764880
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 56787676
1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 94114303
1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea
CID 127266062
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea
CID 51084332
1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 164640436
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 62992130
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19466841
tert-butyl N-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]carbamoylamino]ethyl]-N-methylcarbamate
CID 95573082
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea
CID 19469249
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 107566922

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).