N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide

C14H19N5O — CID 78863513

IUPACN-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCc2ccnc(N(C)C)c2)n[nH]1
InChIInChI=1S/C14H19N5O/c1-4-11-8-12(18-17-11)14(20)16-9-10-5-6-15-13(7-10)19(2)3/h5-8H,4,9H2,1-3H3,(H,16,20)(H,17,18)
InChIKeyOCOLDYLJTVRLSC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.36
Rot. Bonds5

About N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 78863513) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID78863513
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCc2ccnc(N(C)C)c2)n[nH]1
InChIInChI=1S/C14H19N5O/c1-4-11-8-12(18-17-11)14(20)16-9-10-5-6-15-13(7-10)19(2)3/h5-8H,4,9H2,1-3H3,(H,16,20)(H,17,18)
InChIKeyOCOLDYLJTVRLSC-UHFFFAOYSA-N
XLogP1.36
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide
CID 86850789
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide
CID 47028147
5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 78876589
2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide
CID 47028145
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 86994177
5-ethyl-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 78901654
5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 78899603
N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55969246
5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 78876396
N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 87045448
2-(4-bromophenyl)sulfanyl-N-[[2-(dimethylamino)-4-pyridinyl]methyl]acetamide
CID 46414907

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide (CID 78863513) is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NCc2ccnc(N(C)C)c2)n[nH]1.
What is the InChIKey of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is OCOLDYLJTVRLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-11-8-12(18-17-11)14(20)16-9-10-5-6-15-13(7-10)19(2)3/h5-8H,4,9H2,1-3H3,(H,16,20)(H,17,18).
What are the key properties of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide?
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78863513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).