1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide

C10H12N4O2 — CID 175742679

IUPAC1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide
SMILESC=CC(=O)N1CC(n2cc(C(N)=O)cn2)C1
InChIInChI=1S/C10H12N4O2/c1-2-9(15)13-5-8(6-13)14-4-7(3-12-14)10(11)16/h2-4,8H,1,5-6H2,(H2,11,16)
InChIKeyMFDCGBCQAPEFNV-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.45
Rot. Bonds3

About 1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide

1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide (PubChem CID 175742679) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide
PubChem CID175742679
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide
SMILESC=CC(=O)N1CC(n2cc(C(N)=O)cn2)C1
InChIInChI=1S/C10H12N4O2/c1-2-9(15)13-5-8(6-13)14-4-7(3-12-14)10(11)16/h2-4,8H,1,5-6H2,(H2,11,16)
InChIKeyMFDCGBCQAPEFNV-UHFFFAOYSA-N
XLogP-0.45
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900915
1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126901123
1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900922
1-(3-ethenyl-2-ethyl-4,5-dihydroimidazol-4-yl)pyrazole-4-carboxamide
CID 146638756
1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126901107
1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide
CID 95804927
1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126947939
4-(4-prop-2-enoylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 139535625
1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900944
1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901018
1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide
CID 126900938
1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948008

Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide (CID 175742679) is 1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide is C=CC(=O)N1CC(n2cc(C(N)=O)cn2)C1.
What is the InChIKey of 1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide?
The InChIKey is MFDCGBCQAPEFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-2-9(15)13-5-8(6-13)14-4-7(3-12-14)10(11)16/h2-4,8H,1,5-6H2,(H2,11,16).
What are the key properties of 1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide?
1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide has a molecular weight of 220.23 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 175742679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).