4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide

C12H19N5O3 — CID 83106193

IUPAC4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)c1[nH]ncc1N
InChIInChI=1S/C12H19N5O3/c1-7(2)15-11(18)9-6-20-4-3-17(9)12(19)10-8(13)5-14-16-10/h5,7,9H,3-4,6,13H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyHIKVHATVSBZUKU-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.64
Rot. Bonds3

About 4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide

4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83106193) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83106193
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)c1[nH]ncc1N
InChIInChI=1S/C12H19N5O3/c1-7(2)15-11(18)9-6-20-4-3-17(9)12(19)10-8(13)5-14-16-10/h5,7,9H,3-4,6,13H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyHIKVHATVSBZUKU-UHFFFAOYSA-N
XLogP-0.64
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methyl-1H-pyrazole-4-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103633
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83097666
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096778
4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098043
4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096780
4-(4-aminocyclopent-2-ene-1-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83097662
4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106634
4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 103518402
4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097073
4-(5-amino-1H-pyrazole-4-carbonyl)morpholine-3-carboxamide
CID 83096092
4-(5-methylpiperazine-2-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83101075

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide (CID 83106193) is 4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is HIKVHATVSBZUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-7(2)15-11(18)9-6-20-4-3-17(9)12(19)10-8(13)5-14-16-10/h5,7,9H,3-4,6,13H2,1-2H3,(H,14,16)(H,15,18).
What are the key properties of 4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83106193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).