1-(azetidin-3-yl)-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide

C10H13N5O — CID 162381256

IUPAC1-(azetidin-3-yl)-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide
SMILESC#Cc1nn(C2CNC2)c(NC)c1C(N)=O
InChIInChI=1S/C10H13N5O/c1-3-7-8(9(11)16)10(12-2)15(14-7)6-4-13-5-6/h1,6,12-13H,4-5H2,2H3,(H2,11,16)
InChIKeyNKSOBAVQPXVBLL-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.85
Rot. Bonds3

About 1-(azetidin-3-yl)-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide

1-(azetidin-3-yl)-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide (PubChem CID 162381256) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide
PubChem CID162381256
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-(azetidin-3-yl)-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide
SMILESC#Cc1nn(C2CNC2)c(NC)c1C(N)=O
InChIInChI=1S/C10H13N5O/c1-3-7-8(9(11)16)10(12-2)15(14-7)6-4-13-5-6/h1,6,12-13H,4-5H2,2H3,(H2,11,16)
InChIKeyNKSOBAVQPXVBLL-UHFFFAOYSA-N
XLogP-0.85
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-ethynyl-1-[(3S,5R)-5-(fluoromethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162381411
3-ethynyl-1-[(3S,5S)-5-(fluoromethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162381629
1-[(3S,5R)-5-(difluoromethyl)pyrrolidin-3-yl]-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide
CID 164780170
5-[(3-Amino-2,2-difluoropropyl)amino]-1,3-dimethylpyrazole-4-carboxamide
CID 113577808
5-Amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide
CID 18629230
5-Amino-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 20662568
5-Amino-3-methyl-1-n-propylpyrazole-4-carboxamide
CID 54439279
3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide
CID 123241480
5-Amino-1-ethyl-3-methylpyrazole-4-carboxamide
CID 129980710
4,5,6,7-Tetrahydro-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135671361
3,6-dimethyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135839795

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide (CID 162381256) is 1-(azetidin-3-yl)-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide is C#Cc1nn(C2CNC2)c(NC)c1C(N)=O.
What is the InChIKey of 1-(azetidin-3-yl)-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide?
The InChIKey is NKSOBAVQPXVBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-3-7-8(9(11)16)10(12-2)15(14-7)6-4-13-5-6/h1,6,12-13H,4-5H2,2H3,(H2,11,16).
What are the key properties of 1-(azetidin-3-yl)-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide?
1-(azetidin-3-yl)-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide has a molecular weight of 219.25 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 162381256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).