3-anilino-1-[2-cyano-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide

C17H19N5O2 — CID 71537372

IUPAC3-anilino-1-[2-cyano-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide
SMILESN#CCC(C1CCOC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
InChIInChI=1S/C17H19N5O2/c18-8-6-15(12-7-9-24-11-12)22-10-14(16(19)23)17(21-22)20-13-4-2-1-3-5-13/h1-5,10,12,15H,6-7,9,11H2,(H2,19,23)(H,20,21)
InChIKeyAXSZKARSQCCVQD-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.22
Rot. Bonds6

About 3-anilino-1-[2-cyano-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide

3-anilino-1-[2-cyano-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 71537372) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-anilino-1-[2-cyano-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-anilino-1-[2-cyano-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide
PubChem CID71537372
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-anilino-1-[2-cyano-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide
SMILESN#CCC(C1CCOC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
InChIInChI=1S/C17H19N5O2/c18-8-6-15(12-7-9-24-11-12)22-10-14(16(19)23)17(21-22)20-13-4-2-1-3-5-13/h1-5,10,12,15H,6-7,9,11H2,(H2,19,23)(H,20,21)
InChIKeyAXSZKARSQCCVQD-UHFFFAOYSA-N
XLogP2.22
TPSA105.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-cyanoanilino)-1-[(3R,4S)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 89470642
1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
CID 89470690
3-(4-chloroanilino)-1-[(3R,4S)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 89471114
3-anilino-1-[(3R,4S)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 89471136
1-[(3R,4S)-4-cyanooxan-3-yl]-3-(3,4-dicyanoanilino)pyrazole-4-carboxamide
CID 137634461
3-(3-chloro-4-cyanoanilino)-1-[(3R,4S)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 137642404
1-[(3R,4S)-4-cyanooxan-3-yl]-3-[4-(1-methylpyrazol-4-yl)anilino]pyrazole-4-carboxamide
CID 137651256
1-[(3R,4S)-4-cyanooxan-3-yl]-3-(4-cyclopropylanilino)pyrazole-4-carboxamide
CID 137651481
1-[(3R,4S)-4-cyanooxan-3-yl]-3-[4-(triazol-1-yl)anilino]pyrazole-4-carboxamide
CID 137656215
1-[(3R,4S)-4-cyanooxan-3-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 137658028
3-anilino-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 89471082
1-(4-cyanooxan-3-yl)-3-[(7-fluoro-1-hydroxy-3H-2,1-benzoxaborol-5-yl)amino]pyrazole-4-carboxamide
CID 164542653

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-[2-cyano-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-anilino-1-[2-cyano-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide (CID 71537372) is 3-anilino-1-[2-cyano-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-anilino-1-[2-cyano-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-anilino-1-[2-cyano-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide is N#CCC(C1CCOC1)n1cc(C(N)=O)c(Nc2ccccc2)n1.
What is the InChIKey of 3-anilino-1-[2-cyano-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is AXSZKARSQCCVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c18-8-6-15(12-7-9-24-11-12)22-10-14(16(19)23)17(21-22)20-13-4-2-1-3-5-13/h1-5,10,12,15H,6-7,9,11H2,(H2,19,23)(H,20,21).
What are the key properties of 3-anilino-1-[2-cyano-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide?
3-anilino-1-[2-cyano-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-[2-cyano-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71537372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).