1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol

C13H15N5O2 — CID 163836974

IUPAC1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol
SMILESC=C(O)c1cnc(-n2cccn2)nc1N1CCOCC1
InChIInChI=1S/C13H15N5O2/c1-10(19)11-9-14-13(18-4-2-3-15-18)16-12(11)17-5-7-20-8-6-17/h2-4,9,19H,1,5-8H2
InChIKeyOIPFSNSKHUDQSN-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.03
Rot. Bonds3

About 1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol

1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol (PubChem CID 163836974) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol.

Molecular Properties

Compound Name1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol
PubChem CID163836974
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol
SMILESC=C(O)c1cnc(-n2cccn2)nc1N1CCOCC1
InChIInChI=1S/C13H15N5O2/c1-10(19)11-9-14-13(18-4-2-3-15-18)16-12(11)17-5-7-20-8-6-17/h2-4,9,19H,1,5-8H2
InChIKeyOIPFSNSKHUDQSN-UHFFFAOYSA-N
XLogP1.03
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate
CID 58477140
4-pyrido[3,2-d]pyrimidin-2-ylmorpholine
CID 67130702
2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 53214965
3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one
CID 164595905
1-(1,4-oxazepan-4-yl)isoquinoline-4-carboxylic acid
CID 106766993
N-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine
CID 174691302
1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 66585720
4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine
CID 1378888
pentyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate
CID 154138667
2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate
CID 154109144
(3S)-5-cyclohexa-2,4-dien-1-yl-3-[[5-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 145236415
4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920940

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol?
The IUPAC name of 1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol (CID 163836974) is 1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol.
What is the SMILES notation for 1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol?
The canonical SMILES for 1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol is C=C(O)c1cnc(-n2cccn2)nc1N1CCOCC1.
What is the InChIKey of 1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol?
The InChIKey is OIPFSNSKHUDQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-10(19)11-9-14-13(18-4-2-3-15-18)16-12(11)17-5-7-20-8-6-17/h2-4,9,19H,1,5-8H2.
What are the key properties of 1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol?
1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol has a molecular weight of 273.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol is sourced from PubChem (CID 163836974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).