1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea

C17H24N6O2 — CID 119034403

IUPAC1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCC(C1CC1)n1cc(NC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)cn1
InChIInChI=1S/C17H24N6O2/c1-11(12-3-4-12)23-10-14(8-19-23)20-17(24)21-15-5-6-25-16(15)13-7-18-22(2)9-13/h7-12,15-16H,3-6H2,1-2H3,(H2,20,21,24)/t11?,15-,16+/m0/s1
InChIKeyUOXNGPHWXOGOFB-JNMIHDSVSA-N
MW344.42 g/mol
LogP2.24
Rot. Bonds5

About 1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea

1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea (PubChem CID 119034403) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea.

Molecular Properties

Compound Name1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
PubChem CID119034403
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCC(C1CC1)n1cc(NC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)cn1
InChIInChI=1S/C17H24N6O2/c1-11(12-3-4-12)23-10-14(8-19-23)20-17(24)21-15-5-6-25-16(15)13-7-18-22(2)9-13/h7-12,15-16H,3-6H2,1-2H3,(H2,20,21,24)/t11?,15-,16+/m0/s1
InChIKeyUOXNGPHWXOGOFB-JNMIHDSVSA-N
XLogP2.24
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea?
The IUPAC name of 1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea (CID 119034403) is 1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea.
What is the SMILES notation for 1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea?
The canonical SMILES for 1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea is CC(C1CC1)n1cc(NC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)cn1.
What is the InChIKey of 1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea?
The InChIKey is UOXNGPHWXOGOFB-JNMIHDSVSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11(12-3-4-12)23-10-14(8-19-23)20-17(24)21-15-5-6-25-16(15)13-7-18-22(2)9-13/h7-12,15-16H,3-6H2,1-2H3,(H2,20,21,24)/t11?,15-,16+/m0/s1.
What are the key properties of 1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea?
1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea has a molecular weight of 344.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea is sourced from PubChem (CID 119034403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).