2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid

C12H19N5O4 — CID 79082782

IUPAC2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
SMILESCN1CCOC(CNC(=O)Nc2cnn(CC(=O)O)c2)C1
InChIInChI=1S/C12H19N5O4/c1-16-2-3-21-10(7-16)5-13-12(20)15-9-4-14-17(6-9)8-11(18)19/h4,6,10H,2-3,5,7-8H2,1H3,(H,18,19)(H2,13,15,20)
InChIKeyPJRWJJDQSPWECM-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.58
Rot. Bonds5

About 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid

2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid (PubChem CID 79082782) has the molecular formula C12H19N5O4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
PubChem CID79082782
Molecular FormulaC12H19N5O4
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
SMILESCN1CCOC(CNC(=O)Nc2cnn(CC(=O)O)c2)C1
InChIInChI=1S/C12H19N5O4/c1-16-2-3-21-10(7-16)5-13-12(20)15-9-4-14-17(6-9)8-11(18)19/h4,6,10H,2-3,5,7-8H2,1H3,(H,18,19)(H2,13,15,20)
InChIKeyPJRWJJDQSPWECM-UHFFFAOYSA-N
XLogP-0.58
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
CID 107414546
1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 110747047
2-[4-(thiolan-2-ylmethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 80586575
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
CID 106402817
1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 79071437
2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 79083458
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid
CID 79070869
2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
CID 62522870
2-[4-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 102907100

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid (CID 79082782) is 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid is CN1CCOC(CNC(=O)Nc2cnn(CC(=O)O)c2)C1.
What is the InChIKey of 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is PJRWJJDQSPWECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-16-2-3-21-10(7-16)5-13-12(20)15-9-4-14-17(6-9)8-11(18)19/h4,6,10H,2-3,5,7-8H2,1H3,(H,18,19)(H2,13,15,20).
What are the key properties of 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid?
2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 297.31 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 79082782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).