N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide

C19H29N3O — CID 19578175

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide
SMILESCCn1cc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1
InChIInChI=1S/C19H29N3O/c1-4-22-12-17(13(2)20-22)11-21(3)18(23)19-8-14-5-15(9-19)7-16(6-14)10-19/h12,14-16H,4-11H2,1-3H3
InChIKeyYCDPPIFRSYHYKD-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.39
Rot. Bonds4

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide (PubChem CID 19578175) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide
PubChem CID19578175
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide
SMILESCCn1cc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1
InChIInChI=1S/C19H29N3O/c1-4-22-12-17(13(2)20-22)11-21(3)18(23)19-8-14-5-15(9-19)7-16(6-14)10-19/h12,14-16H,4-11H2,1-3H3
InChIKeyYCDPPIFRSYHYKD-UHFFFAOYSA-N
XLogP3.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide (CID 19578175) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide is CCn1cc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide?
The InChIKey is YCDPPIFRSYHYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-4-22-12-17(13(2)20-22)11-21(3)18(23)19-8-14-5-15(9-19)7-16(6-14)10-19/h12,14-16H,4-11H2,1-3H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide is sourced from PubChem (CID 19578175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).