1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea

C12H21N5O2 — CID 97087430

IUPAC1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESC[C@@H](CNC(=O)NCc1ccn[nH]1)N1CCOCC1
InChIInChI=1S/C12H21N5O2/c1-10(17-4-6-19-7-5-17)8-13-12(18)14-9-11-2-3-15-16-11/h2-3,10H,4-9H2,1H3,(H,15,16)(H2,13,14,18)/t10-/m0/s1
InChIKeyQJDUGVDNRDPYMP-JTQLQIEISA-N
MW267.33 g/mol
LogP-0.07
Rot. Bonds5

About 1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea

1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 97087430) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID97087430
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESC[C@@H](CNC(=O)NCc1ccn[nH]1)N1CCOCC1
InChIInChI=1S/C12H21N5O2/c1-10(17-4-6-19-7-5-17)8-13-12(18)14-9-11-2-3-15-16-11/h2-3,10H,4-9H2,1H3,(H,15,16)(H2,13,14,18)/t10-/m0/s1
InChIKeyQJDUGVDNRDPYMP-JTQLQIEISA-N
XLogP-0.07
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111931922
2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 141430312
3-chloro-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 62728534
1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94173591
1-[(2R)-2-morpholin-4-ylpropyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 94028317
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[(2R)-2-morpholin-4-ylpropyl]urea
CID 94171449
N-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 92612749
1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea
CID 87003592
1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94177078
1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 97087344
2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 119110534
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(2S)-2-morpholin-4-ylpropyl]urea
CID 97087354

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea (CID 97087430) is 1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea is C[C@@H](CNC(=O)NCc1ccn[nH]1)N1CCOCC1.
What is the InChIKey of 1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is QJDUGVDNRDPYMP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N5O2/c1-10(17-4-6-19-7-5-17)8-13-12(18)14-9-11-2-3-15-16-11/h2-3,10H,4-9H2,1H3,(H,15,16)(H2,13,14,18)/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea?
1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 267.33 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 97087430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).