N-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H22N4O2 — CID 71941523

IUPACN-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CCCCC1OCCNC(=O)c1cnn2cccnc12
InChIInChI=1S/C16H22N4O2/c1-12-5-2-3-6-14(12)22-10-8-18-16(21)13-11-19-20-9-4-7-17-15(13)20/h4,7,9,11-12,14H,2-3,5-6,8,10H2,1H3,(H,18,21)
InChIKeyWFCCIIVPPQRTED-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.05
Rot. Bonds5

About N-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 71941523) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID71941523
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CCCCC1OCCNC(=O)c1cnn2cccnc12
InChIInChI=1S/C16H22N4O2/c1-12-5-2-3-6-14(12)22-10-8-18-16(21)13-11-19-20-9-4-7-17-15(13)20/h4,7,9,11-12,14H,2-3,5-6,8,10H2,1H3,(H,18,21)
InChIKeyWFCCIIVPPQRTED-UHFFFAOYSA-N
XLogP2.05
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.05
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 71941523) is N-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1CCCCC1OCCNC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WFCCIIVPPQRTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-5-2-3-6-14(12)22-10-8-18-16(21)13-11-19-20-9-4-7-17-15(13)20/h4,7,9,11-12,14H,2-3,5-6,8,10H2,1H3,(H,18,21).
What are the key properties of N-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71941523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).