N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide

C19H29N3O — CID 17021669

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide
SMILESCCn1nccc1CNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H29N3O/c1-4-22-15(5-6-21-22)10-20-16(23)19-9-14-7-17(2,12-19)11-18(3,8-14)13-19/h5-6,14H,4,7-13H2,1-3H3,(H,20,23)
InChIKeyRWQYPJQWVQFXQZ-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.52
Rot. Bonds4

About N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide

N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide (PubChem CID 17021669) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide
PubChem CID17021669
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide
SMILESCCn1nccc1CNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H29N3O/c1-4-22-15(5-6-21-22)10-20-16(23)19-9-14-7-17(2,12-19)11-18(3,8-14)13-19/h5-6,14H,4,7-13H2,1-3H3,(H,20,23)
InChIKeyRWQYPJQWVQFXQZ-UHFFFAOYSA-N
XLogP3.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide (CID 17021669) is N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide is CCn1nccc1CNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is RWQYPJQWVQFXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-4-22-15(5-6-21-22)10-20-16(23)19-9-14-7-17(2,12-19)11-18(3,8-14)13-19/h5-6,14H,4,7-13H2,1-3H3,(H,20,23).
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide?
N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 17021669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).