1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C18H22N4O2 — CID 124830183

IUPAC1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESC[C@H](C1CC1)n1nccc1NC(=O)N[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C18H22N4O2/c1-11(12-6-7-12)22-16(8-9-19-22)20-18(24)21-17-14-5-3-2-4-13(14)10-15(17)23/h2-5,8-9,11-12,15,17,23H,6-7,10H2,1H3,(H2,20,21,24)/t11-,15-,17-/m1/s1
InChIKeyHJGUVLNUSQHDGR-RGYTYGDFSA-N
MW326.40 g/mol
LogP2.63
Rot. Bonds4

About 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 124830183) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID124830183
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESC[C@H](C1CC1)n1nccc1NC(=O)N[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C18H22N4O2/c1-11(12-6-7-12)22-16(8-9-19-22)20-18(24)21-17-14-5-3-2-4-13(14)10-15(17)23/h2-5,8-9,11-12,15,17,23H,6-7,10H2,1H3,(H2,20,21,24)/t11-,15-,17-/m1/s1
InChIKeyHJGUVLNUSQHDGR-RGYTYGDFSA-N
XLogP2.63
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 124830183) is 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is C[C@H](C1CC1)n1nccc1NC(=O)N[C@@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is HJGUVLNUSQHDGR-RGYTYGDFSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11(12-6-7-12)22-16(8-9-19-22)20-18(24)21-17-14-5-3-2-4-13(14)10-15(17)23/h2-5,8-9,11-12,15,17,23H,6-7,10H2,1H3,(H2,20,21,24)/t11-,15-,17-/m1/s1.
What are the key properties of 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 326.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 124830183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).