N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C12H17F3N4O2 — CID 19508149

IUPACN-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C12H17F3N4O2/c13-12(14,15)10-8-9(17-18-10)11(20)16-2-1-3-19-4-6-21-7-5-19/h8H,1-7H2,(H,16,20)(H,17,18)
InChIKeyMJTGPKZDCVJIDA-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.88
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19508149) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID19508149
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C12H17F3N4O2/c13-12(14,15)10-8-9(17-18-10)11(20)16-2-1-3-19-4-6-21-7-5-19/h8H,1-7H2,(H,16,20)(H,17,18)
InChIKeyMJTGPKZDCVJIDA-UHFFFAOYSA-N
XLogP0.88
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide
CID 119393895
N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508355
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44602326
N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
CID 141309481
N-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 135121925
2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide
CID 110467560
4-hydrazinyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 62243174
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84573956
5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119393280

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 19508149) is N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(NCCCN1CCOCC1)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is MJTGPKZDCVJIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c13-12(14,15)10-8-9(17-18-10)11(20)16-2-1-3-19-4-6-21-7-5-19/h8H,1-7H2,(H,16,20)(H,17,18).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).