4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide

C12H21N5O3 — CID 83106929

IUPAC4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(O)Cn1cc(N)cn1
InChIInChI=1S/C12H21N5O3/c1-14-12(19)11-8-20-3-2-16(11)6-10(18)7-17-5-9(13)4-15-17/h4-5,10-11,18H,2-3,6-8,13H2,1H3,(H,14,19)
InChIKeyGJPBUIWMBHLOIX-UHFFFAOYSA-N
MW283.33 g/mol
LogP-1.73
Rot. Bonds5

About 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide

4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83106929) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide
PubChem CID83106929
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(O)Cn1cc(N)cn1
InChIInChI=1S/C12H21N5O3/c1-14-12(19)11-8-20-3-2-16(11)6-10(18)7-17-5-9(13)4-15-17/h4-5,10-11,18H,2-3,6-8,13H2,1H3,(H,14,19)
InChIKeyGJPBUIWMBHLOIX-UHFFFAOYSA-N
XLogP-1.73
TPSA105.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-ethylmorpholine-3-carboxamide
CID 83097772
1-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 103194660
4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide
CID 83106446
4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83106155
4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096778
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
1-(4-aminopyrazol-1-yl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
CID 81205949
3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid
CID 83101373
4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83097786
4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 112751291
4-[(3-amino-5-bromophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 103350002
(2S)-1-(4-aminopyrazol-1-yl)-3-pyrrolidin-1-ylpropan-2-ol
CID 51864183

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide (CID 83106929) is 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1CC(O)Cn1cc(N)cn1.
What is the InChIKey of 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is GJPBUIWMBHLOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-14-12(19)11-8-20-3-2-16(11)6-10(18)7-17-5-9(13)4-15-17/h4-5,10-11,18H,2-3,6-8,13H2,1H3,(H,14,19).
What are the key properties of 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide?
4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of -1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83106929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).