7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C16H21N5O3 — CID 172615494

IUPAC7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)NC3CCCCC3)ccnc2c1C(N)=O
InChIInChI=1S/C16H21N5O3/c1-24-9-11-13(14(17)22)15-18-8-7-12(21(15)20-11)16(23)19-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H2,17,22)(H,19,23)
InChIKeyXLFAOYKDDIMNHI-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.04
Rot. Bonds5

About 7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615494) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615494
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)NC3CCCCC3)ccnc2c1C(N)=O
InChIInChI=1S/C16H21N5O3/c1-24-9-11-13(14(17)22)15-18-8-7-12(21(15)20-11)16(23)19-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H2,17,22)(H,19,23)
InChIKeyXLFAOYKDDIMNHI-UHFFFAOYSA-N
XLogP1.04
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615556
7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615168
7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615187
2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615225
7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615614
7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615456
7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615362
7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615593
3-cyano-N-(2,3-dihydro-1H-inden-2-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carbothioamide
CID 172615385
N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3422822
N-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110848067
N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159731

Frequently Asked Questions

What is the IUPAC name of 7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615494) is 7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is COCc1nn2c(C(=O)NC3CCCCC3)ccnc2c1C(N)=O.
What is the InChIKey of 7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is XLFAOYKDDIMNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-24-9-11-13(14(17)22)15-18-8-7-12(21(15)20-11)16(23)19-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H2,17,22)(H,19,23).
What are the key properties of 7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 331.38 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).