3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide

C12H23N5O — CID 132586373

IUPAC3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(N)nn1CC
InChIInChI=1S/C12H23N5O/c1-4-16(5-2)8-7-14-12(18)10-9-11(13)15-17(10)6-3/h9H,4-8H2,1-3H3,(H2,13,15)(H,14,18)
InChIKeyKQOXWJOEACZCBY-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.56
Rot. Bonds7

About 3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide

3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide (PubChem CID 132586373) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide
PubChem CID132586373
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(N)nn1CC
InChIInChI=1S/C12H23N5O/c1-4-16(5-2)8-7-14-12(18)10-9-11(13)15-17(10)6-3/h9H,4-8H2,1-3H3,(H2,13,15)(H,14,18)
InChIKeyKQOXWJOEACZCBY-UHFFFAOYSA-N
XLogP0.56
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 122171297
3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 122171299
3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide
CID 122171294
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
CID 65358786
3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide
CID 122171333
5-amino-N-[2-(diethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 82546931
2-amino-N-[2-(diethylamino)ethyl]pyridine-4-carboxamide
CID 62156406
N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 20861285
2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
CID 21398311
3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide
CID 143395890
N-(5-aminopentyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120386

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide (CID 132586373) is 3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide is CCN(CC)CCNC(=O)c1cc(N)nn1CC.
What is the InChIKey of 3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide?
The InChIKey is KQOXWJOEACZCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-16(5-2)8-7-14-12(18)10-9-11(13)15-17(10)6-3/h9H,4-8H2,1-3H3,(H2,13,15)(H,14,18).
What are the key properties of 3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide?
3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 132586373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).