5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;pyrrolidine

C11H17N5O — CID 162381055

IUPAC5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;pyrrolidine
SMILESC#Cc1[nH]nc(NC)c1C(N)=O.C1CCNC1
InChIInChI=1S/C7H8N4O.C4H9N/c1-3-4-5(6(8)12)7(9-2)11-10-4;1-2-4-5-3-1/h1H,2H3,(H2,8,12)(H2,9,10,11);5H,1-4H2
InChIKeyXSJNGXBGRRYNQR-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.10
Rot. Bonds2

About 5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;pyrrolidine

5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;pyrrolidine (PubChem CID 162381055) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;pyrrolidine.

Molecular Properties

Compound Name5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;pyrrolidine
PubChem CID162381055
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;pyrrolidine
SMILESC#Cc1[nH]nc(NC)c1C(N)=O.C1CCNC1
InChIInChI=1S/C7H8N4O.C4H9N/c1-3-4-5(6(8)12)7(9-2)11-10-4;1-2-4-5-3-1/h1H,2H3,(H2,8,12)(H2,9,10,11);5H,1-4H2
InChIKeyXSJNGXBGRRYNQR-UHFFFAOYSA-N
XLogP-0.10
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethynyl-1-[(3S,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162380826
3-(3-Aminoprop-1-ynyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;ethane
CID 144447081
ethane;5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide
CID 162380687
5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide
CID 162380688
carbanide;einsteinium;5-ethynyl-3-(methylamino)-1H-pyrazole-4-carbaldehyde;methanamine;1-[(2E)-2-(methoxymethylidene)pyrrolidin-1-yl]prop-2-en-1-one
CID 162380954
ethane;5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;1-[(2E)-2-(methoxymethylidene)pyrrolidin-1-yl]prop-2-en-1-one
CID 162381033
5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;1-[(2E)-2-(methoxymethylidene)pyrrolidin-1-yl]prop-2-en-1-one
CID 162381060
ethane;5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;1-(3-methylsulfanylpyrrolidin-1-yl)prop-2-en-1-one
CID 162381251
ethane;5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;1-pyrrolidin-1-ylprop-2-en-1-one
CID 162381328
3-ethynyl-5-(methylamino)-1-[(3S,5S)-5-methylpyrrolidin-3-yl]pyrazole-4-carboxamide
CID 162381510
3-Ethynyl-1-methyl-5-(methylamino)pyrazole-4-carboxamide;propane
CID 162381539
3-ethynyl-5-(methylamino)-1-[(3S,5R)-5-methylpyrrolidin-3-yl]pyrazole-4-carboxamide;dihydrochloride
CID 162381556

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;pyrrolidine?
The IUPAC name of 5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;pyrrolidine (CID 162381055) is 5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;pyrrolidine.
What is the SMILES notation for 5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;pyrrolidine?
The canonical SMILES for 5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;pyrrolidine is C#Cc1[nH]nc(NC)c1C(N)=O.C1CCNC1.
What is the InChIKey of 5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;pyrrolidine?
The InChIKey is XSJNGXBGRRYNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O.C4H9N/c1-3-4-5(6(8)12)7(9-2)11-10-4;1-2-4-5-3-1/h1H,2H3,(H2,8,12)(H2,9,10,11);5H,1-4H2.
What are the key properties of 5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;pyrrolidine?
5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;pyrrolidine has a molecular weight of 235.29 g/mol, XLogP of -0.10, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;pyrrolidine is sourced from PubChem (CID 162381055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).