4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide

C14H25N5O2 — CID 132586431

IUPAC4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1cc(N)c(C(=O)NCCCN2CCOCC2)n1
InChIInChI=1S/C14H25N5O2/c1-11(2)19-10-12(15)13(17-19)14(20)16-4-3-5-18-6-8-21-9-7-18/h10-11H,3-9,15H2,1-2H3,(H,16,20)
InChIKeyYJNZDMOUHPRZLF-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.50
Rot. Bonds6

About 4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide

4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 132586431) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID132586431
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1cc(N)c(C(=O)NCCCN2CCOCC2)n1
InChIInChI=1S/C14H25N5O2/c1-11(2)19-10-12(15)13(17-19)14(20)16-4-3-5-18-6-8-21-9-7-18/h10-11H,3-9,15H2,1-2H3,(H,16,20)
InChIKeyYJNZDMOUHPRZLF-UHFFFAOYSA-N
XLogP0.50
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 132586497
1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624113
4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 132586559
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
3-amino-N-(3-morpholin-4-ylpropyl)pyridine-4-carboxamide
CID 105068500
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19266741
2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide
CID 61092801
N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75489084
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide
CID 71701659

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide (CID 132586431) is 4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1cc(N)c(C(=O)NCCCN2CCOCC2)n1.
What is the InChIKey of 4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is YJNZDMOUHPRZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-11(2)19-10-12(15)13(17-19)14(20)16-4-3-5-18-6-8-21-9-7-18/h10-11H,3-9,15H2,1-2H3,(H,16,20).
What are the key properties of 4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide?
4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 132586431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).