N-cyclohexyl-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H24N4O2 — CID 5120256

IUPACN-cyclohexyl-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCc1c(C)nc2c(C(=O)NC3CCCCC3)c[nH]n2c1=O
InChIInChI=1S/C17H24N4O2/c1-3-7-13-11(2)19-15-14(10-18-21(15)17(13)23)16(22)20-12-8-5-4-6-9-12/h10,12,18H,3-9H2,1-2H3,(H,20,22)
InChIKeyMGYCUFHARXZXQY-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.35
Rot. Bonds4

About N-cyclohexyl-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclohexyl-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5120256) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-cyclohexyl-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5120256
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-cyclohexyl-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCc1c(C)nc2c(C(=O)NC3CCCCC3)c[nH]n2c1=O
InChIInChI=1S/C17H24N4O2/c1-3-7-13-11(2)19-15-14(10-18-21(15)17(13)23)16(22)20-12-8-5-4-6-9-12/h10,12,18H,3-9H2,1-2H3,(H,20,22)
InChIKeyMGYCUFHARXZXQY-UHFFFAOYSA-N
XLogP2.35
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5120256) is N-cyclohexyl-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCc1c(C)nc2c(C(=O)NC3CCCCC3)c[nH]n2c1=O.
What is the InChIKey of N-cyclohexyl-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MGYCUFHARXZXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-7-13-11(2)19-15-14(10-18-21(15)17(13)23)16(22)20-12-8-5-4-6-9-12/h10,12,18H,3-9H2,1-2H3,(H,20,22).
What are the key properties of N-cyclohexyl-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclohexyl-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methyl-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5120256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).