4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide

C12H21N5O — CID 62082306

IUPAC4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCN1CCC(NC(=O)c2n[nH]c(C)c2N)CC1
InChIInChI=1S/C12H21N5O/c1-3-17-6-4-9(5-7-17)14-12(18)11-10(13)8(2)15-16-11/h9H,3-7,13H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyKEEXONMUKUWYOR-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.51
Rot. Bonds3

About 4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 62082306) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID62082306
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCN1CCC(NC(=O)c2n[nH]c(C)c2N)CC1
InChIInChI=1S/C12H21N5O/c1-3-17-6-4-9(5-7-17)14-12(18)11-10(13)8(2)15-16-11/h9H,3-7,13H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyKEEXONMUKUWYOR-UHFFFAOYSA-N
XLogP0.51
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62081203
4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide
CID 113479631
4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 64747408
3-amino-N-(1-ethylpiperidin-4-yl)pyrazine-2-carboxamide
CID 30768284
4-amino-5-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 114514855
4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 113406538
N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 62081242
N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide
CID 62082297
4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 62075802
4-amino-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide
CID 62305249
4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082092
4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 62083205

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide (CID 62082306) is 4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide is CCN1CCC(NC(=O)c2n[nH]c(C)c2N)CC1.
What is the InChIKey of 4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is KEEXONMUKUWYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-17-6-4-9(5-7-17)14-12(18)11-10(13)8(2)15-16-11/h9H,3-7,13H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).