1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea

C17H21N5O2 — CID 94178436

IUPAC1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
SMILESO=C(Nc1ccc(-n2cccn2)nc1)N(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C17H21N5O2/c23-17(21(15-3-4-15)11-13-6-9-24-12-13)20-14-2-5-16(18-10-14)22-8-1-7-19-22/h1-2,5,7-8,10,13,15H,3-4,6,9,11-12H2,(H,20,23)/t13-/m0/s1
InChIKeyWKEHDMYZMYLCFB-ZDUSSCGKSA-N
MW327.39 g/mol
LogP2.30
Rot. Bonds5

About 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea

1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea (PubChem CID 94178436) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
PubChem CID94178436
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
SMILESO=C(Nc1ccc(-n2cccn2)nc1)N(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C17H21N5O2/c23-17(21(15-3-4-15)11-13-6-9-24-12-13)20-14-2-5-16(18-10-14)22-8-1-7-19-22/h1-2,5,7-8,10,13,15H,3-4,6,9,11-12H2,(H,20,23)/t13-/m0/s1
InChIKeyWKEHDMYZMYLCFB-ZDUSSCGKSA-N
XLogP2.30
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea (CID 94178436) is 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea is O=C(Nc1ccc(-n2cccn2)nc1)N(C[C@@H]1CCOC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
The InChIKey is WKEHDMYZMYLCFB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-17(21(15-3-4-15)11-13-6-9-24-12-13)20-14-2-5-16(18-10-14)22-8-1-7-19-22/h1-2,5,7-8,10,13,15H,3-4,6,9,11-12H2,(H,20,23)/t13-/m0/s1.
What are the key properties of 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea has a molecular weight of 327.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 94178436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).