1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea

C19H30N4O3 — CID 164630362

IUPAC1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea
SMILESCCC1CC(NC(=O)N[C@H]2CCO[C@@H]2c2ccnn2CC2CC2)CCO1
InChIInChI=1S/C19H30N4O3/c1-2-15-11-14(6-9-25-15)21-19(24)22-16-7-10-26-18(16)17-5-8-20-23(17)12-13-3-4-13/h5,8,13-16,18H,2-4,6-7,9-12H2,1H3,(H2,21,22,24)/t14?,15?,16-,18-/m0/s1
InChIKeyXTQFGGMUBUEMBV-OBQMCRIKSA-N
MW362.47 g/mol
LogP2.38
Rot. Bonds6

About 1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea

1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea (PubChem CID 164630362) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea.

Molecular Properties

Compound Name1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea
PubChem CID164630362
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea
SMILESCCC1CC(NC(=O)N[C@H]2CCO[C@@H]2c2ccnn2CC2CC2)CCO1
InChIInChI=1S/C19H30N4O3/c1-2-15-11-14(6-9-25-15)21-19(24)22-16-7-10-26-18(16)17-5-8-20-23(17)12-13-3-4-13/h5,8,13-16,18H,2-4,6-7,9-12H2,1H3,(H2,21,22,24)/t14?,15?,16-,18-/m0/s1
InChIKeyXTQFGGMUBUEMBV-OBQMCRIKSA-N
XLogP2.38
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea?
The IUPAC name of 1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea (CID 164630362) is 1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea.
What is the SMILES notation for 1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea?
The canonical SMILES for 1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea is CCC1CC(NC(=O)N[C@H]2CCO[C@@H]2c2ccnn2CC2CC2)CCO1.
What is the InChIKey of 1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea?
The InChIKey is XTQFGGMUBUEMBV-OBQMCRIKSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-2-15-11-14(6-9-25-15)21-19(24)22-16-7-10-26-18(16)17-5-8-20-23(17)12-13-3-4-13/h5,8,13-16,18H,2-4,6-7,9-12H2,1H3,(H2,21,22,24)/t14?,15?,16-,18-/m0/s1.
What are the key properties of 1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea?
1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea has a molecular weight of 362.47 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea is sourced from PubChem (CID 164630362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).