N-cyclohexyl-N-(cyclopropylmethyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C19H26N4O2 — CID 71933401

IUPACN-cyclohexyl-N-(cyclopropylmethyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N(CC1CC1)C1CCCCC1
InChIInChI=1S/C19H26N4O2/c1-13-16(19(25)23-17(21-13)9-10-20-23)11-18(24)22(12-14-7-8-14)15-5-3-2-4-6-15/h9-10,14-15,20H,2-8,11-12H2,1H3
InChIKeyTUBQWZIDEXQNQK-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.44
Rot. Bonds5

About N-cyclohexyl-N-(cyclopropylmethyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-cyclohexyl-N-(cyclopropylmethyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 71933401) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-cyclohexyl-N-(cyclopropylmethyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(cyclopropylmethyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID71933401
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-cyclohexyl-N-(cyclopropylmethyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N(CC1CC1)C1CCCCC1
InChIInChI=1S/C19H26N4O2/c1-13-16(19(25)23-17(21-13)9-10-20-23)11-18(24)22(12-14-7-8-14)15-5-3-2-4-6-15/h9-10,14-15,20H,2-8,11-12H2,1H3
InChIKeyTUBQWZIDEXQNQK-UHFFFAOYSA-N
XLogP2.44
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(cyclopropylmethyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-(cyclopropylmethyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 71933401) is N-cyclohexyl-N-(cyclopropylmethyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-(cyclopropylmethyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-(cyclopropylmethyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1nc2cc[nH]n2c(=O)c1CC(=O)N(CC1CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(cyclopropylmethyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is TUBQWZIDEXQNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-16(19(25)23-17(21-13)9-10-20-23)11-18(24)22(12-14-7-8-14)15-5-3-2-4-6-15/h9-10,14-15,20H,2-8,11-12H2,1H3.
What are the key properties of N-cyclohexyl-N-(cyclopropylmethyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-cyclohexyl-N-(cyclopropylmethyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(cyclopropylmethyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 71933401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).