N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide

C16H22N4O2 — CID 42758729

IUPACN-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCN(C)C)n(C)n2)c1
InChIInChI=1S/C16H22N4O2/c1-19(2)9-8-17-16(21)15-11-14(18-20(15)3)12-6-5-7-13(10-12)22-4/h5-7,10-11H,8-9H2,1-4H3,(H,17,21)
InChIKeyDNWYHCAJYBNYTN-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.39
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 42758729) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID42758729
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCN(C)C)n(C)n2)c1
InChIInChI=1S/C16H22N4O2/c1-19(2)9-8-17-16(21)15-11-14(18-20(15)3)12-6-5-7-13(10-12)22-4/h5-7,10-11H,8-9H2,1-4H3,(H,17,21)
InChIKeyDNWYHCAJYBNYTN-UHFFFAOYSA-N
XLogP1.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 5254174
3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121088682
3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide
CID 42758721
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 5021032
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122293434
N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505
3-(3-methoxyphenyl)-1-methyl-N-[(6-methylpyrimidin-4-yl)methyl]pyrazole-5-carboxamide
CID 122263527
N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758735
N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 812295
3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide
CID 121088744
3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide
CID 122328408
N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 42758729) is N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCCN(C)C)n(C)n2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is DNWYHCAJYBNYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-19(2)9-8-17-16(21)15-11-14(18-20(15)3)12-6-5-7-13(10-12)22-4/h5-7,10-11H,8-9H2,1-4H3,(H,17,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 42758729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).