1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide

C14H21N5O — CID 20836792

IUPAC1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(CCNC(=O)c2cn(CC)nc2C)cn1
InChIInChI=1S/C14H21N5O/c1-4-18-9-12(8-16-18)6-7-15-14(20)13-10-19(5-2)17-11(13)3/h8-10H,4-7H2,1-3H3,(H,15,20)
InChIKeyOSKDZMKJSJLCDT-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.40
Rot. Bonds6

About 1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide

1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide (PubChem CID 20836792) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide
PubChem CID20836792
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(CCNC(=O)c2cn(CC)nc2C)cn1
InChIInChI=1S/C14H21N5O/c1-4-18-9-12(8-16-18)6-7-15-14(20)13-10-19(5-2)17-11(13)3/h8-10H,4-7H2,1-3H3,(H,15,20)
InChIKeyOSKDZMKJSJLCDT-UHFFFAOYSA-N
XLogP1.40
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474824
N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474292
2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide
CID 166416305
1-ethyl-3-methylpyrazole-4-carbohydrazide
CID 46318394
1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 4157405
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474193
methyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate
CID 158388301
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474460
1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477840
methyl 2-(1-ethyl-3-methylpyrazol-4-yl)-2-oxoacetate
CID 112616484
3-(1-ethylpyrazol-4-yl)propanehydrazide
CID 55281645
N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 35763955

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide (CID 20836792) is 1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide is CCn1cc(CCNC(=O)c2cn(CC)nc2C)cn1.
What is the InChIKey of 1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is OSKDZMKJSJLCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-18-9-12(8-16-18)6-7-15-14(20)13-10-19(5-2)17-11(13)3/h8-10H,4-7H2,1-3H3,(H,15,20).
What are the key properties of 1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide?
1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 20836792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).