N-[(1-ethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide

C18H27N3O — CID 4110120

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide
SMILESCCn1cc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C18H27N3O/c1-3-21-12-16(10-19-21)11-20(2)17(22)18-7-13-4-14(8-18)6-15(5-13)9-18/h10,12-15H,3-9,11H2,1-2H3
InChIKeyCWTZWPNWYPUFBD-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.08
Rot. Bonds4

About N-[(1-ethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide (PubChem CID 4110120) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide
PubChem CID4110120
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide
SMILESCCn1cc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C18H27N3O/c1-3-21-12-16(10-19-21)11-20(2)17(22)18-7-13-4-14(8-18)6-15(5-13)9-18/h10,12-15H,3-9,11H2,1-2H3
InChIKeyCWTZWPNWYPUFBD-UHFFFAOYSA-N
XLogP3.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide (CID 4110120) is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide is CCn1cc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide?
The InChIKey is CWTZWPNWYPUFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-21-12-16(10-19-21)11-20(2)17(22)18-7-13-4-14(8-18)6-15(5-13)9-18/h10,12-15H,3-9,11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyladamantane-1-carboxamide is sourced from PubChem (CID 4110120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).