1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea

C19H27N5O2 — CID 124594022

IUPAC1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
SMILESCc1cc(C[C@H](C)NC(=O)Nc2ccccc2CN2CCOCC2)n[nH]1
InChIInChI=1S/C19H27N5O2/c1-14(11-17-12-15(2)22-23-17)20-19(25)21-18-6-4-3-5-16(18)13-24-7-9-26-10-8-24/h3-6,12,14H,7-11,13H2,1-2H3,(H,22,23)(H2,20,21,25)/t14-/m0/s1
InChIKeyXCYRYMBJHIYCFV-AWEZNQCLSA-N
MW357.46 g/mol
LogP2.30
Rot. Bonds6

About 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea

1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea (PubChem CID 124594022) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
PubChem CID124594022
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
SMILESCc1cc(C[C@H](C)NC(=O)Nc2ccccc2CN2CCOCC2)n[nH]1
InChIInChI=1S/C19H27N5O2/c1-14(11-17-12-15(2)22-23-17)20-19(25)21-18-6-4-3-5-16(18)13-24-7-9-26-10-8-24/h3-6,12,14H,7-11,13H2,1-2H3,(H,22,23)(H2,20,21,25)/t14-/m0/s1
InChIKeyXCYRYMBJHIYCFV-AWEZNQCLSA-N
XLogP2.30
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea
CID 86799745
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 55833777
1-[2-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 118781085
2-amino-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119859628
1-(4-hydroxy-2-methylphenyl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 122150685
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99714466
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131918393
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide
CID 131942231
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694
1-(2-methoxy-5-methyl-3-pyridinyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 91649344
1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99716281
1-(4,6-dimethyl-2-pyridinyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99624390

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea (CID 124594022) is 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea is Cc1cc(C[C@H](C)NC(=O)Nc2ccccc2CN2CCOCC2)n[nH]1.
What is the InChIKey of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
The InChIKey is XCYRYMBJHIYCFV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14(11-17-12-15(2)22-23-17)20-19(25)21-18-6-4-3-5-16(18)13-24-7-9-26-10-8-24/h3-6,12,14H,7-11,13H2,1-2H3,(H,22,23)(H2,20,21,25)/t14-/m0/s1.
What are the key properties of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea has a molecular weight of 357.46 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 124594022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).