1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea

C19H24N4O2 — CID 71992274

IUPAC1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
SMILESC#CCOc1cccc(NC(=O)NC(C)Cc2c(C)nn(C)c2C)c1
InChIInChI=1S/C19H24N4O2/c1-6-10-25-17-9-7-8-16(12-17)21-19(24)20-13(2)11-18-14(3)22-23(5)15(18)4/h1,7-9,12-13H,10-11H2,2-5H3,(H2,20,21,24)
InChIKeyBISMEACZVYOWOL-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.80
Rot. Bonds6

About 1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea

1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea (PubChem CID 71992274) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
PubChem CID71992274
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
SMILESC#CCOc1cccc(NC(=O)NC(C)Cc2c(C)nn(C)c2C)c1
InChIInChI=1S/C19H24N4O2/c1-6-10-25-17-9-7-8-16(12-17)21-19(24)20-13(2)11-18-14(3)22-23(5)15(18)4/h1,7-9,12-13H,10-11H2,2-5H3,(H2,20,21,24)
InChIKeyBISMEACZVYOWOL-UHFFFAOYSA-N
XLogP2.80
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(difluoromethyl)phenyl]-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97318672
N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide
CID 50959754
methyl N-(3-prop-2-ynoxyphenyl)carbamate
CID 137320753
1-(4-hydroxy-2-methylbutyl)-3-(3-prop-2-ynoxyphenyl)urea
CID 111474745
1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 111482812
1-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 99856964
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(3-prop-2-ynoxyphenyl)urea
CID 111521167
4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide
CID 119138224
1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97001695
1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95733895
2-[3-(butan-2-ylcarbamoylamino)phenoxy]acetic acid
CID 61188461
3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 60935772

Frequently Asked Questions

What is the IUPAC name of 1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The IUPAC name of 1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea (CID 71992274) is 1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The canonical SMILES for 1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea is C#CCOc1cccc(NC(=O)NC(C)Cc2c(C)nn(C)c2C)c1.
What is the InChIKey of 1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The InChIKey is BISMEACZVYOWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-6-10-25-17-9-7-8-16(12-17)21-19(24)20-13(2)11-18-14(3)22-23(5)15(18)4/h1,7-9,12-13H,10-11H2,2-5H3,(H2,20,21,24).
What are the key properties of 1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea has a molecular weight of 340.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea is sourced from PubChem (CID 71992274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).