N-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide

C17H24N4O — CID 97212696

IUPACN-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCN(CC)C[C@H](NC(=O)c1cn[nH]c1C)c1ccccc1
InChIInChI=1S/C17H24N4O/c1-4-21(5-2)12-16(14-9-7-6-8-10-14)19-17(22)15-11-18-20-13(15)3/h6-11,16H,4-5,12H2,1-3H3,(H,18,20)(H,19,22)/t16-/m0/s1
InChIKeyBWSFZQVRFJSZOV-INIZCTEOSA-N
MW300.41 g/mol
LogP2.53
Rot. Bonds7

About N-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 97212696) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID97212696
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCN(CC)C[C@H](NC(=O)c1cn[nH]c1C)c1ccccc1
InChIInChI=1S/C17H24N4O/c1-4-21(5-2)12-16(14-9-7-6-8-10-14)19-17(22)15-11-18-20-13(15)3/h6-11,16H,4-5,12H2,1-3H3,(H,18,20)(H,19,22)/t16-/m0/s1
InChIKeyBWSFZQVRFJSZOV-INIZCTEOSA-N
XLogP2.53
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 97212696) is N-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide is CCN(CC)C[C@H](NC(=O)c1cn[nH]c1C)c1ccccc1.
What is the InChIKey of N-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is BWSFZQVRFJSZOV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-21(5-2)12-16(14-9-7-6-8-10-14)19-17(22)15-11-18-20-13(15)3/h6-11,16H,4-5,12H2,1-3H3,(H,18,20)(H,19,22)/t16-/m0/s1.
What are the key properties of N-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 97212696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).