N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propylpyrazole-4-carboxamide

C17H28N4O2 — CID 72862716

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCCC(=O)NC2CCCCC2)c(C)n1
InChIInChI=1S/C17H28N4O2/c1-3-11-21-12-15(13(2)20-21)17(23)18-10-9-16(22)19-14-7-5-4-6-8-14/h12,14H,3-11H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyWSHATLFNJLDWRD-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.17
Rot. Bonds7

About N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propylpyrazole-4-carboxamide

N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 72862716) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propylpyrazole-4-carboxamide
PubChem CID72862716
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCCC(=O)NC2CCCCC2)c(C)n1
InChIInChI=1S/C17H28N4O2/c1-3-11-21-12-15(13(2)20-21)17(23)18-10-9-16(22)19-14-7-5-4-6-8-14/h12,14H,3-11H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyWSHATLFNJLDWRD-UHFFFAOYSA-N
XLogP2.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propylpyrazole-4-carboxamide (CID 72862716) is N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)NCCC(=O)NC2CCCCC2)c(C)n1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is WSHATLFNJLDWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-11-21-12-15(13(2)20-21)17(23)18-10-9-16(22)19-14-7-5-4-6-8-14/h12,14H,3-11H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propylpyrazole-4-carboxamide?
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72862716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).