N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,4-difluorobenzamide

C17H18F2N4O2 — CID 49055742

IUPACN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,4-difluorobenzamide
SMILESO=C(Cn1cc(NC(=O)c2ccc(F)cc2F)cn1)NC1CCCC1
InChIInChI=1S/C17H18F2N4O2/c18-11-5-6-14(15(19)7-11)17(25)22-13-8-20-23(9-13)10-16(24)21-12-3-1-2-4-12/h5-9,12H,1-4,10H2,(H,21,24)(H,22,25)
InChIKeyCVNRCRNTEZZPSH-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.47
Rot. Bonds5

About N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,4-difluorobenzamide

N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,4-difluorobenzamide (PubChem CID 49055742) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,4-difluorobenzamide
PubChem CID49055742
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,4-difluorobenzamide
SMILESO=C(Cn1cc(NC(=O)c2ccc(F)cc2F)cn1)NC1CCCC1
InChIInChI=1S/C17H18F2N4O2/c18-11-5-6-14(15(19)7-11)17(25)22-13-8-20-23(9-13)10-16(24)21-12-3-1-2-4-12/h5-9,12H,1-4,10H2,(H,21,24)(H,22,25)
InChIKeyCVNRCRNTEZZPSH-UHFFFAOYSA-N
XLogP2.47
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,4-difluorobenzamide (CID 49055742) is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,4-difluorobenzamide is O=C(Cn1cc(NC(=O)c2ccc(F)cc2F)cn1)NC1CCCC1.
What is the InChIKey of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,4-difluorobenzamide?
The InChIKey is CVNRCRNTEZZPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c18-11-5-6-14(15(19)7-11)17(25)22-13-8-20-23(9-13)10-16(24)21-12-3-1-2-4-12/h5-9,12H,1-4,10H2,(H,21,24)(H,22,25).
What are the key properties of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,4-difluorobenzamide?
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,4-difluorobenzamide has a molecular weight of 348.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 49055742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).