(3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide

C19H29N3O — CID 98331377

IUPAC(3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide
SMILESCCn1cc(CNC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cn1
InChIInChI=1S/C19H29N3O/c1-4-22-10-15(9-21-22)8-20-16(23)19-7-14-5-17(2,12-19)11-18(3,6-14)13-19/h9-10,14H,4-8,11-13H2,1-3H3,(H,20,23)/t14?,17-,18-,19?/m1/s1
InChIKeyGGRPUDBZNPXHSQ-NBLCHNQSSA-N
MW315.46 g/mol
LogP3.52
Rot. Bonds4

About (3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide

(3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide (PubChem CID 98331377) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide
PubChem CID98331377
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide
SMILESCCn1cc(CNC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cn1
InChIInChI=1S/C19H29N3O/c1-4-22-10-15(9-21-22)8-20-16(23)19-7-14-5-17(2,12-19)11-18(3,6-14)13-19/h9-10,14H,4-8,11-13H2,1-3H3,(H,20,23)/t14?,17-,18-,19?/m1/s1
InChIKeyGGRPUDBZNPXHSQ-NBLCHNQSSA-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 (3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of (3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide (CID 98331377) is (3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for (3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for (3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide is CCn1cc(CNC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cn1.
What is the InChIKey of (3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is GGRPUDBZNPXHSQ-NBLCHNQSSA-N. The full InChI is InChI=1S/C19H29N3O/c1-4-22-10-15(9-21-22)8-20-16(23)19-7-14-5-17(2,12-19)11-18(3,6-14)13-19/h9-10,14H,4-8,11-13H2,1-3H3,(H,20,23)/t14?,17-,18-,19?/m1/s1.
What are the key properties of (3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide?
(3R,5R)-N-[(1-ethylpyrazol-4-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 (3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 98331377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).