(3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide

C19H29N3O — CID 98331375

IUPAC(3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide
SMILESCN(Cc1ccn(C)n1)C(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2
InChIInChI=1S/C19H29N3O/c1-17-7-14-8-18(2,11-17)13-19(9-14,12-17)16(23)21(3)10-15-5-6-22(4)20-15/h5-6,14H,7-13H2,1-4H3/t14?,17-,18-,19?/m1/s1
InChIKeyQUHKYJUUBKJYQR-NBLCHNQSSA-N
MW315.46 g/mol
LogP3.38
Rot. Bonds3

About (3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide

(3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide (PubChem CID 98331375) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide
PubChem CID98331375
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide
SMILESCN(Cc1ccn(C)n1)C(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2
InChIInChI=1S/C19H29N3O/c1-17-7-14-8-18(2,11-17)13-19(9-14,12-17)16(23)21(3)10-15-5-6-22(4)20-15/h5-6,14H,7-13H2,1-4H3/t14?,17-,18-,19?/m1/s1
InChIKeyQUHKYJUUBKJYQR-NBLCHNQSSA-N
XLogP3.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of (3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide (CID 98331375) is (3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for (3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for (3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide is CN(Cc1ccn(C)n1)C(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2.
What is the InChIKey of (3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide?
The InChIKey is QUHKYJUUBKJYQR-NBLCHNQSSA-N. The full InChI is InChI=1S/C19H29N3O/c1-17-7-14-8-18(2,11-17)13-19(9-14,12-17)16(23)21(3)10-15-5-6-22(4)20-15/h5-6,14H,7-13H2,1-4H3/t14?,17-,18-,19?/m1/s1.
What are the key properties of (3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide?
(3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 98331375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).