ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate

C11H19N3O2 — CID 114525727

IUPACethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCCN(C)C)c1
InChIInChI=1S/C11H19N3O2/c1-4-16-11(15)10-8-12-14(9-10)7-5-6-13(2)3/h8-9H,4-7H2,1-3H3
InChIKeyOVAVWJNIBWNZLF-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.01
Rot. Bonds6

About ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate

ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate (PubChem CID 114525727) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate
PubChem CID114525727
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCCN(C)C)c1
InChIInChI=1S/C11H19N3O2/c1-4-16-11(15)10-8-12-14(9-10)7-5-6-13(2)3/h8-9H,4-7H2,1-3H3
InChIKeyOVAVWJNIBWNZLF-UHFFFAOYSA-N
XLogP1.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-propyl-1H-pyrazole-4-carboxylic acid
CID 6485386
1-ethyl-1H-pyrazole-4-carboxylic acid
CID 832221
ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 252927
1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CID 784155
methyl 1-methyl-1H-pyrazole-4-carboxylate
CID 10130004
ethyl 1-methyl-1H-pyrazole-4-carboxylate
CID 11116265
Ethyl 5-Chloro-1-methyl-1H-pyrazole-4-carboxylate
CID 2758821
1-tert-Butyl-1H-pyrazole-4-carboxylic acid
CID 24696291
2-(4-formyl-1H-pyrazol-1-yl)ethyl acetate
CID 54593338
ethyl 5-isocyanato-1-methyl-1H-pyrazole-4-carboxylate
CID 83383185
2-(4-(methoxycarbonyl)-1H-pyrazol-1-yl)acetic acid
CID 19576734
1-(2-methylpropyl)-1H-pyrazole-4-carboxylic acid
CID 19620019

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate (CID 114525727) is ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(CCCN(C)C)c1.
What is the InChIKey of ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate?
The InChIKey is OVAVWJNIBWNZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-16-11(15)10-8-12-14(9-10)7-5-6-13(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate?
ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate is sourced from PubChem (CID 114525727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).