4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide

C15H21N5O — CID 63101974

IUPAC4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)c1[nH]ncc1N
InChIInChI=1S/C15H21N5O/c1-19(2)8-9-20(11-12-6-4-3-5-7-12)15(21)14-13(16)10-17-18-14/h3-7,10H,8-9,11,16H2,1-2H3,(H,17,18)
InChIKeyUCNSHDRFDWOETF-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.20
Rot. Bonds6

About 4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide

4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 63101974) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID63101974
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)c1[nH]ncc1N
InChIInChI=1S/C15H21N5O/c1-19(2)8-9-20(11-12-6-4-3-5-7-12)15(21)14-13(16)10-17-18-14/h3-7,10H,8-9,11,16H2,1-2H3,(H,17,18)
InChIKeyUCNSHDRFDWOETF-UHFFFAOYSA-N
XLogP1.20
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide
CID 63103779
4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide
CID 63104123
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63101793
4-amino-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 63107047
4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 55178020
N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 78811482
4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 63103060
4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide
CID 63102288
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide
CID 63101976
4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63102864
4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63104327
4-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63102134

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide (CID 63101974) is 4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide is CN(C)CCN(Cc1ccccc1)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UCNSHDRFDWOETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19(2)8-9-20(11-12-6-4-3-5-7-12)15(21)14-13(16)10-17-18-14/h3-7,10H,8-9,11,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide?
4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63101974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).