4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene

C13H22N4O2 — CID 142994993

IUPAC4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene
SMILESC/C=C\C.C=CC.CC(=O)Nc1cn[nH]c1C(N)=O
InChIInChI=1S/C6H8N4O2.C4H8.C3H6/c1-3(11)9-4-2-8-10-5(4)6(7)12;1-3-4-2;1-3-2/h2H,1H3,(H2,7,12)(H,8,10)(H,9,11);3-4H,1-2H3;3H,1H2,2H3/b;4-3-;
InChIKeyVETVNGRGOWXTRU-LWFKIUJUSA-N
MW266.35 g/mol
LogP2.24
Rot. Bonds2

About 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene

4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene (PubChem CID 142994993) has the molecular formula C13H22N4O2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene.

Molecular Properties

Compound Name4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene
PubChem CID142994993
Molecular FormulaC13H22N4O2
Molecular Weight266.35 g/mol
Exact Mass266.17
IUPAC Name4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene
SMILESC/C=C\C.C=CC.CC(=O)Nc1cn[nH]c1C(N)=O
InChIInChI=1S/C6H8N4O2.C4H8.C3H6/c1-3(11)9-4-2-8-10-5(4)6(7)12;1-3-4-2;1-3-2/h2H,1H3,(H2,7,12)(H,8,10)(H,9,11);3-4H,1-2H3;3H,1H2,2H3/b;4-3-;
InChIKeyVETVNGRGOWXTRU-LWFKIUJUSA-N
XLogP2.24
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1H-pyrazole-5-carboxamide
CID 580973
4-((1E)-3,3-Dimethyltriaz-1-en-1-yl)-1H-pyrazole-3-carboxamide
CID 279946
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408
4-amino-N-cyclopropyl-1H-pyrazole-3-carboxamide
CID 63107017
N-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-4-(1-hydroxypropan-2-ylamino)-1H-pyrazole-5-carboxamide
CID 142994999
N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-5-carboxamide
CID 142995096
4-(cyclohexylamino)-N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1H-pyrazole-5-carboxamide
CID 142995110
N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide
CID 142995117
4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide
CID 143263402
N-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-1H-pyrazole-5-carboxamide
CID 143263764
N-[(2E,4E)-5-fluoro-3-methylhepta-2,4,6-trien-2-yl]-4-[(4-hydrazinyl-4-methyliminobutanoyl)amino]-1H-pyrazole-5-carboxamide
CID 143263814
N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide
CID 143263914

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene?
The IUPAC name of 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene (CID 142994993) is 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene.
What is the SMILES notation for 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene?
The canonical SMILES for 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene is C/C=C\C.C=CC.CC(=O)Nc1cn[nH]c1C(N)=O.
What is the InChIKey of 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene?
The InChIKey is VETVNGRGOWXTRU-LWFKIUJUSA-N. The full InChI is InChI=1S/C6H8N4O2.C4H8.C3H6/c1-3(11)9-4-2-8-10-5(4)6(7)12;1-3-4-2;1-3-2/h2H,1H3,(H2,7,12)(H,8,10)(H,9,11);3-4H,1-2H3;3H,1H2,2H3/b;4-3-;.
What are the key properties of 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene?
4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene has a molecular weight of 266.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene is sourced from PubChem (CID 142994993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).