1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide

C12H21N3O — CID 51076097

IUPAC1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cnn(C)c1C
InChIInChI=1S/C12H21N3O/c1-5-7-15(8-6-2)12(16)11-9-13-14(4)10(11)3/h9H,5-8H2,1-4H3
InChIKeyVYDBUDRYOBLDCN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.99
Rot. Bonds5

About 1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide

1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide (PubChem CID 51076097) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
PubChem CID51076097
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cnn(C)c1C
InChIInChI=1S/C12H21N3O/c1-5-7-15(8-6-2)12(16)11-9-13-14(4)10(11)3/h9H,5-8H2,1-4H3
InChIKeyVYDBUDRYOBLDCN-UHFFFAOYSA-N
XLogP1.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 22374064
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 46928351
1,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 579643
1-ethyl-3-methyl-1H-pyrazole-4-carbaldehyde
CID 573203
1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-one
CID 843977
1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CID 847285
1-(1,5-Dimethyl-1H-pyrazol-4-yl)ethanone
CID 7019427
1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 665356
1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl-
CID 175787
1,3-dimethyl-1H-pyrazole-4-carbohydrazide
CID 4188482
1-Ethyl-5-methyl-1H-pyrazole-4-carbaldehyde
CID 573204
5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde
CID 1149978

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide (CID 51076097) is 1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide is CCCN(CCC)C(=O)c1cnn(C)c1C.
What is the InChIKey of 1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide?
The InChIKey is VYDBUDRYOBLDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-7-15(8-6-2)12(16)11-9-13-14(4)10(11)3/h9H,5-8H2,1-4H3.
What are the key properties of 1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide?
1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide is sourced from PubChem (CID 51076097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).