1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea

C19H20N4O — CID 66551085

IUPAC1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
SMILESO=C(Nc1cccc2[nH]ncc12)N[C@H]1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C19H20N4O/c24-19(22-17-7-4-8-18-16(17)12-20-23-18)21-15-10-9-14(11-15)13-5-2-1-3-6-13/h1-8,12,14-15H,9-11H2,(H,20,23)(H2,21,22,24)/t14-,15-/m0/s1
InChIKeyJSEHDPNFIUYQLO-GJZGRUSLSA-N
MW320.40 g/mol
LogP4.02
Rot. Bonds3

About 1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea

1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea (PubChem CID 66551085) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
PubChem CID66551085
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
SMILESO=C(Nc1cccc2[nH]ncc12)N[C@H]1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C19H20N4O/c24-19(22-17-7-4-8-18-16(17)12-20-23-18)21-15-10-9-14(11-15)13-5-2-1-3-6-13/h1-8,12,14-15H,9-11H2,(H,20,23)(H2,21,22,24)/t14-,15-/m0/s1
InChIKeyJSEHDPNFIUYQLO-GJZGRUSLSA-N
XLogP4.02
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea (CID 66551085) is 1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea is O=C(Nc1cccc2[nH]ncc12)N[C@H]1CC[C@H](c2ccccc2)C1.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea?
The InChIKey is JSEHDPNFIUYQLO-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(22-17-7-4-8-18-16(17)12-20-23-18)21-15-10-9-14(11-15)13-5-2-1-3-6-13/h1-8,12,14-15H,9-11H2,(H,20,23)(H2,21,22,24)/t14-,15-/m0/s1.
What are the key properties of 1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea?
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea has a molecular weight of 320.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea is sourced from PubChem (CID 66551085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).