N-(1-adamantylmethyl)-3-methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide

C20H25N5O2 — CID 59579999

IUPACN-(1-adamantylmethyl)-3-methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide
SMILESCOc1nn(-c2ncccn2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25N5O2/c1-27-18-16(11-25(24-18)19-21-3-2-4-22-19)17(26)23-12-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,11,13-15H,5-10,12H2,1H3,(H,23,26)
InChIKeyBHRHSEFCLWUXNZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.62
Rot. Bonds5

About N-(1-adamantylmethyl)-3-methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide

N-(1-adamantylmethyl)-3-methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide (PubChem CID 59579999) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide
PubChem CID59579999
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(1-adamantylmethyl)-3-methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide
SMILESCOc1nn(-c2ncccn2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25N5O2/c1-27-18-16(11-25(24-18)19-21-3-2-4-22-19)17(26)23-12-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,11,13-15H,5-10,12H2,1H3,(H,23,26)
InChIKeyBHRHSEFCLWUXNZ-UHFFFAOYSA-N
XLogP2.62
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-3-methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide (CID 59579999) is N-(1-adamantylmethyl)-3-methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide is COc1nn(-c2ncccn2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-3-methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide?
The InChIKey is BHRHSEFCLWUXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-27-18-16(11-25(24-18)19-21-3-2-4-22-19)17(26)23-12-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,11,13-15H,5-10,12H2,1H3,(H,23,26).
What are the key properties of N-(1-adamantylmethyl)-3-methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide?
N-(1-adamantylmethyl)-3-methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 59579999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).