1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea

C17H23N5O2 — CID 99835806

IUPAC1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea
SMILESCc1cc(NC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-12-11-16(21-20-12)19-17(23)18-15-5-3-14(4-6-15)13(2)22-7-9-24-10-8-22/h3-6,11,13H,7-10H2,1-2H3,(H3,18,19,20,21,23)/t13-/m0/s1
InChIKeyZXCSJGJYNVVTHP-ZDUSSCGKSA-N
MW329.40 g/mol
LogP2.76
Rot. Bonds4

About 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea

1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea (PubChem CID 99835806) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea
PubChem CID99835806
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea
SMILESCc1cc(NC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-12-11-16(21-20-12)19-17(23)18-15-5-3-14(4-6-15)13(2)22-7-9-24-10-8-22/h3-6,11,13H,7-10H2,1-2H3,(H3,18,19,20,21,23)/t13-/m0/s1
InChIKeyZXCSJGJYNVVTHP-ZDUSSCGKSA-N
XLogP2.76
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea?
The IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea (CID 99835806) is 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea is Cc1cc(NC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)n[nH]1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea?
The InChIKey is ZXCSJGJYNVVTHP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-11-16(21-20-12)19-17(23)18-15-5-3-14(4-6-15)13(2)22-7-9-24-10-8-22/h3-6,11,13H,7-10H2,1-2H3,(H3,18,19,20,21,23)/t13-/m0/s1.
What are the key properties of 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea?
1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea has a molecular weight of 329.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea is sourced from PubChem (CID 99835806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).