N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19ClN4O2 — CID 4642664

IUPACN-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCc1c(C)nc2c(C(=O)NCc3ccccc3Cl)c[nH]n2c1=O
InChIInChI=1S/C18H19ClN4O2/c1-3-6-13-11(2)22-16-14(10-21-23(16)18(13)25)17(24)20-9-12-7-4-5-8-15(12)19/h4-5,7-8,10,21H,3,6,9H2,1-2H3,(H,20,24)
InChIKeyYPZDSYYJENUBRU-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.87
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4642664) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4642664
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCc1c(C)nc2c(C(=O)NCc3ccccc3Cl)c[nH]n2c1=O
InChIInChI=1S/C18H19ClN4O2/c1-3-6-13-11(2)22-16-14(10-21-23(16)18(13)25)17(24)20-9-12-7-4-5-8-15(12)19/h4-5,7-8,10,21H,3,6,9H2,1-2H3,(H,20,24)
InChIKeyYPZDSYYJENUBRU-UHFFFAOYSA-N
XLogP2.87
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4642664) is N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCc1c(C)nc2c(C(=O)NCc3ccccc3Cl)c[nH]n2c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YPZDSYYJENUBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-3-6-13-11(2)22-16-14(10-21-23(16)18(13)25)17(24)20-9-12-7-4-5-8-15(12)19/h4-5,7-8,10,21H,3,6,9H2,1-2H3,(H,20,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4642664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).