3-anilino-1-[1-cyano-3-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide

C19H23N5O2 — CID 71537373

IUPAC3-anilino-1-[1-cyano-3-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide
SMILESN#CCC(CC1CCOCC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
InChIInChI=1S/C19H23N5O2/c20-9-6-16(12-14-7-10-26-11-8-14)24-13-17(18(21)25)19(23-24)22-15-4-2-1-3-5-15/h1-5,13-14,16H,6-8,10-12H2,(H2,21,25)(H,22,23)
InChIKeyYIKVJARMWRGGLQ-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.00
Rot. Bonds7

About 3-anilino-1-[1-cyano-3-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide

3-anilino-1-[1-cyano-3-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide (PubChem CID 71537373) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-anilino-1-[1-cyano-3-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-anilino-1-[1-cyano-3-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide
PubChem CID71537373
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-anilino-1-[1-cyano-3-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide
SMILESN#CCC(CC1CCOCC1)n1cc(C(N)=O)c(Nc2ccccc2)n1
InChIInChI=1S/C19H23N5O2/c20-9-6-16(12-14-7-10-26-11-8-14)24-13-17(18(21)25)19(23-24)22-15-4-2-1-3-5-15/h1-5,13-14,16H,6-8,10-12H2,(H2,21,25)(H,22,23)
InChIKeyYIKVJARMWRGGLQ-UHFFFAOYSA-N
XLogP3.00
TPSA105.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-[1-cyano-3-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-anilino-1-[1-cyano-3-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide (CID 71537373) is 3-anilino-1-[1-cyano-3-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-anilino-1-[1-cyano-3-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-anilino-1-[1-cyano-3-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide is N#CCC(CC1CCOCC1)n1cc(C(N)=O)c(Nc2ccccc2)n1.
What is the InChIKey of 3-anilino-1-[1-cyano-3-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide?
The InChIKey is YIKVJARMWRGGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c20-9-6-16(12-14-7-10-26-11-8-14)24-13-17(18(21)25)19(23-24)22-15-4-2-1-3-5-15/h1-5,13-14,16H,6-8,10-12H2,(H2,21,25)(H,22,23).
What are the key properties of 3-anilino-1-[1-cyano-3-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide?
3-anilino-1-[1-cyano-3-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-[1-cyano-3-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 71537373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).