N-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide

C14H18IN3O — CID 19479778

IUPACN-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1[nH]ncc1I
InChIInChI=1S/C14H18IN3O/c15-11-7-16-18-12(11)13(19)17-14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H,16,18)(H,17,19)
InChIKeyQRIMDQAKLVFJQN-UHFFFAOYSA-N
MW371.22 g/mol
LogP2.71
Rot. Bonds2

About N-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide

N-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide (PubChem CID 19479778) has the molecular formula C14H18IN3O and a molecular weight of 371.22 g/mol. Its IUPAC name is N-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide
PubChem CID19479778
Molecular FormulaC14H18IN3O
Molecular Weight371.22 g/mol
Exact Mass371.05
IUPAC NameN-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1[nH]ncc1I
InChIInChI=1S/C14H18IN3O/c15-11-7-16-18-12(11)13(19)17-14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H,16,18)(H,17,19)
InChIKeyQRIMDQAKLVFJQN-UHFFFAOYSA-N
XLogP2.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(1-adamantylmethyl)-4-iodo-1H-pyrazole-5-carboxamide
CID 19479917
N-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 55115521
N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide
CID 130614280
N-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide
CID 19511346
N-(1-adamantyl)-5-aminopyridine-2-carboxamide
CID 81309951
N-(1-adamantyl)-4-sulfanylbenzamide
CID 107019898
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
1-N,3-N-bis(1-adamantyl)-5-aminobenzene-1,3-dicarboxamide
CID 57309710
N-(1-adamantyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261645
N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide
CID 65355510
N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 84577194
N-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91902289

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide (CID 19479778) is N-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1[nH]ncc1I.
What is the InChIKey of N-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide?
The InChIKey is QRIMDQAKLVFJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN3O/c15-11-7-16-18-12(11)13(19)17-14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H,16,18)(H,17,19).
What are the key properties of N-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide?
N-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide has a molecular weight of 371.22 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19479778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).