3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid

C15H17N3O3 — CID 117463545

IUPAC3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(CN3CCOCC3)cc2)n[nH]1
InChIInChI=1S/C15H17N3O3/c19-15(20)14-9-13(16-17-14)12-3-1-11(2-4-12)10-18-5-7-21-8-6-18/h1-4,9H,5-8,10H2,(H,16,17)(H,19,20)
InChIKeyAXXPNFLSHYQGFS-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.61
Rot. Bonds4

About 3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid

3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 117463545) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
PubChem CID117463545
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(CN3CCOCC3)cc2)n[nH]1
InChIInChI=1S/C15H17N3O3/c19-15(20)14-9-13(16-17-14)12-3-1-11(2-4-12)10-18-5-7-21-8-6-18/h1-4,9H,5-8,10H2,(H,16,17)(H,19,20)
InChIKeyAXXPNFLSHYQGFS-UHFFFAOYSA-N
XLogP1.61
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117492632
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515188
3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117459650
3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19508813
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515115
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 38549380
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid
CID 91341400
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 94116708
3-[4-(2,2-difluoroethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117383204
3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117367670

Frequently Asked Questions

What is the IUPAC name of 3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid (CID 117463545) is 3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(CN3CCOCC3)cc2)n[nH]1.
What is the InChIKey of 3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is AXXPNFLSHYQGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-15(20)14-9-13(16-17-14)12-3-1-11(2-4-12)10-18-5-7-21-8-6-18/h1-4,9H,5-8,10H2,(H,16,17)(H,19,20).
What are the key properties of 3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117463545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).