4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid

C9H13N3O3 — CID 130569431

IUPAC4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1Cc1cn[nH]c1
InChIInChI=1S/C9H13N3O3/c13-9(14)8-6-15-2-1-12(8)5-7-3-10-11-4-7/h3-4,8H,1-2,5-6H2,(H,10,11)(H,13,14)
InChIKeySIQOUHJDNCWXHH-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.30
Rot. Bonds3

About 4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid

4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid (PubChem CID 130569431) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid
PubChem CID130569431
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1Cc1cn[nH]c1
InChIInChI=1S/C9H13N3O3/c13-9(14)8-6-15-2-1-12(8)5-7-3-10-11-4-7/h3-4,8H,1-2,5-6H2,(H,10,11)(H,13,14)
InChIKeySIQOUHJDNCWXHH-UHFFFAOYSA-N
XLogP-0.30
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid
CID 82389048
4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid
CID 81320292
4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid
CID 107105272
5-(1H-pyrazol-4-ylmethyl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 130710664
4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid
CID 103004849
4-[(4-cyano-3-methoxyphenyl)methyl]morpholine-3-carboxylic acid
CID 106792559
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]morpholine-3-carboxylic acid
CID 25070592
(3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid
CID 91840101
4-[(4-chloro-2-methylphenyl)methyl]morpholine-3-carboxylic acid
CID 114076020
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid (CID 130569431) is 4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid is O=C(O)C1COCCN1Cc1cn[nH]c1.
What is the InChIKey of 4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid?
The InChIKey is SIQOUHJDNCWXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-9(14)8-6-15-2-1-12(8)5-7-3-10-11-4-7/h3-4,8H,1-2,5-6H2,(H,10,11)(H,13,14).
What are the key properties of 4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid?
4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 130569431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).