N-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H21ClN4O — CID 2978661

IUPACN-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1nn2cccnc2c1Cl
InChIInChI=1S/C18H21ClN4O/c19-14-15(22-23-3-1-2-20-16(14)23)17(24)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10H2,(H,21,24)
InChIKeyQGVRPYNGIWEXLX-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.33
Rot. Bonds3

About N-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2978661) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2978661
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1nn2cccnc2c1Cl
InChIInChI=1S/C18H21ClN4O/c19-14-15(22-23-3-1-2-20-16(14)23)17(24)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10H2,(H,21,24)
InChIKeyQGVRPYNGIWEXLX-UHFFFAOYSA-N
XLogP3.33
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2978661) is N-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1nn2cccnc2c1Cl.
What is the InChIKey of N-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QGVRPYNGIWEXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-14-15(22-23-3-1-2-20-16(14)23)17(24)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10H2,(H,21,24).
What are the key properties of N-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2978661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).