N-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C19H28N4O2 — CID 71682928

IUPACN-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C)cc12
InChIInChI=1S/C19H28N4O2/c1-3-4-8-11-22-13-16(18(24)20-15-9-6-5-7-10-15)19(25)23-17(22)12-14(2)21-23/h12-13,15H,3-11H2,1-2H3,(H,20,24)
InChIKeyWQNAMSABBJVDIJ-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.06
Rot. Bonds6

About N-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 71682928) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID71682928
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C)cc12
InChIInChI=1S/C19H28N4O2/c1-3-4-8-11-22-13-16(18(24)20-15-9-6-5-7-10-15)19(25)23-17(22)12-14(2)21-23/h12-13,15H,3-11H2,1-2H3,(H,20,24)
InChIKeyWQNAMSABBJVDIJ-UHFFFAOYSA-N
XLogP3.06
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 71680718
CID 71680718
CID 71680719
CID 71680719
CID 71683077
CID 71683077
CID 71683078
CID 71683078
CID 71683080
CID 71683080
CID 71683081
CID 71683081
CID 71683082
CID 71683082
CID 20928954
CID 20928954
CID 20928957
CID 20928957
CID 20928963
CID 20928963
CID 20928977
CID 20928977
CID 46282411
CID 46282411

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 71682928) is N-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C)cc12.
What is the InChIKey of N-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is WQNAMSABBJVDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-4-8-11-22-13-16(18(24)20-15-9-6-5-7-10-15)19(25)23-17(22)12-14(2)21-23/h12-13,15H,3-11H2,1-2H3,(H,20,24).
What are the key properties of N-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71682928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).