4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

C12H20N4O — CID 66122803

IUPAC4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)CC2CC2)c1N
InChIInChI=1S/C12H20N4O/c1-4-9-10(13)11(16(3)14-9)12(17)15(2)7-8-5-6-8/h8H,4-7,13H2,1-3H3
InChIKeyWOBDWBGNHICJRN-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.05
Rot. Bonds4

About 4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 66122803) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
PubChem CID66122803
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)CC2CC2)c1N
InChIInChI=1S/C12H20N4O/c1-4-9-10(13)11(16(3)14-9)12(17)15(2)7-8-5-6-8/h8H,4-7,13H2,1-3H3
InChIKeyWOBDWBGNHICJRN-UHFFFAOYSA-N
XLogP1.05
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide
CID 66119492
4-amino-N-(cyclopropylmethyl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
CID 66125305
4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide
CID 66119069
4-amino-N-(cyclohexylmethyl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66125536
4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66124522
4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66119287
4-amino-3-ethyl-N,1-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-5-carboxamide
CID 82741443
4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66116761
4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide
CID 66125494
2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 106203640
4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide
CID 66116977
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66125318

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (CID 66122803) is 4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(C)CC2CC2)c1N.
What is the InChIKey of 4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is WOBDWBGNHICJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-9-10(13)11(16(3)14-9)12(17)15(2)7-8-5-6-8/h8H,4-7,13H2,1-3H3.
What are the key properties of 4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66122803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).