3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide

C11H20N4O — CID 132586396

IUPAC3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(N)nn1C(C)C
InChIInChI=1S/C11H20N4O/c1-5-14(6-2)11(16)9-7-10(12)13-15(9)8(3)4/h7-8H,5-6H2,1-4H3,(H2,12,13)
InChIKeyAWYCWCWDNRUSRJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.53
Rot. Bonds4

About 3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide

3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide (PubChem CID 132586396) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide
PubChem CID132586396
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(N)nn1C(C)C
InChIInChI=1S/C11H20N4O/c1-5-14(6-2)11(16)9-7-10(12)13-15(9)8(3)4/h7-8H,5-6H2,1-4H3,(H2,12,13)
InChIKeyAWYCWCWDNRUSRJ-UHFFFAOYSA-N
XLogP1.53
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide
CID 122171333
3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide
CID 154881923
phenyl 3-amino-1-propan-2-ylpyrazole-5-carboxylate
CID 117218497
(2S)-2-(3-amino-5-methylpyrazol-1-yl)butanoic acid
CID 124709590
4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 43643428
[3-(trifluoromethyl)phenyl] 3-amino-1-propan-2-ylpyrazole-5-carboxylate
CID 117218522
5-(aminomethyl)-1-propan-2-ylpyrazol-3-amine
CID 83863940
2-(3-amino-5-methylpyrazol-1-yl)propanoic acid
CID 19620619
N-ethyl-5-methyl-2-propan-2-ylpyrazole-3-carboxamide
CID 58337027
(3-amino-1-propan-2-ylpyrazol-5-yl)boronic acid
CID 69090415
5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine
CID 117217260
4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641536

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide (CID 132586396) is 3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide is CCN(CC)C(=O)c1cc(N)nn1C(C)C.
What is the InChIKey of 3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is AWYCWCWDNRUSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-14(6-2)11(16)9-7-10(12)13-15(9)8(3)4/h7-8H,5-6H2,1-4H3,(H2,12,13).
What are the key properties of 3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide?
3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-diethyl-1-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 132586396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).