2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide

C18H20ClN5O2 — CID 58230437

IUPAC2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnc(Cl)nc1-n1cccn1
InChIInChI=1S/C18H20ClN5O2/c19-17-20-9-13(15(23-17)24-3-1-2-21-24)16(25)22-14-11-4-10-5-12(14)8-18(26,6-10)7-11/h1-3,9-12,14,26H,4-8H2,(H,22,25)
InChIKeyIAKSSEDHOJVSKB-UHFFFAOYSA-N
MW373.84 g/mol
LogP1.99
Rot. Bonds3

About 2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide

2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide (PubChem CID 58230437) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide
PubChem CID58230437
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnc(Cl)nc1-n1cccn1
InChIInChI=1S/C18H20ClN5O2/c19-17-20-9-13(15(23-17)24-3-1-2-21-24)16(25)22-14-11-4-10-5-12(14)8-18(26,6-10)7-11/h1-3,9-12,14,26H,4-8H2,(H,22,25)
InChIKeyIAKSSEDHOJVSKB-UHFFFAOYSA-N
XLogP1.99
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414526
N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127037645
N-(5-hydroxy-2-adamantyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127037647
N-(5-hydroxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127037648
N-(5-hydroxy-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127037649
7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127037668
6-cyano-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127037669
6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127037989
N-(5-hydroxy-2-adamantyl)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127038358
N-(5-methoxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127040447
N-(5-hydroxy-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127040750
N-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127041085

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide (CID 58230437) is 2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnc(Cl)nc1-n1cccn1.
What is the InChIKey of 2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide?
The InChIKey is IAKSSEDHOJVSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c19-17-20-9-13(15(23-17)24-3-1-2-21-24)16(25)22-14-11-4-10-5-12(14)8-18(26,6-10)7-11/h1-3,9-12,14,26H,4-8H2,(H,22,25).
What are the key properties of 2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide?
2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-hydroxy-2-adamantyl)-4-pyrazol-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 58230437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).