4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide

C14H23N5O2 — CID 62078626

IUPAC4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C14H23N5O2/c1-14(2,3)16-9(20)7-19(4)13(21)12-10(15)11(17-18-12)8-5-6-8/h8H,5-7,15H2,1-4H3,(H,16,20)(H,17,18)
InChIKeyLNMLGOKWGOPYPH-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.86
Rot. Bonds4

About 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide

4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 62078626) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID62078626
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C14H23N5O2/c1-14(2,3)16-9(20)7-19(4)13(21)12-10(15)11(17-18-12)8-5-6-8/h8H,5-7,15H2,1-4H3,(H,16,20)(H,17,18)
InChIKeyLNMLGOKWGOPYPH-UHFFFAOYSA-N
XLogP0.86
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62080103
4-amino-5-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 62078792
4-amino-5-cyclopropyl-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-3-carboxamide
CID 106333015
4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide
CID 62079532
4-amino-5-cyclopropyl-N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-3-carboxamide
CID 102990884
4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
CID 62077794
4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide
CID 106289355
4-amino-5-cyclopropyl-N-[(2S)-2-hydroxypropyl]-1H-pyrazole-3-carboxamide
CID 107211171
4-amino-N,5-dicyclopropyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide
CID 62078982
4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62080467

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide (CID 62078626) is 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide is CN(CC(=O)NC(C)(C)C)C(=O)c1n[nH]c(C2CC2)c1N.
What is the InChIKey of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is LNMLGOKWGOPYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-14(2,3)16-9(20)7-19(4)13(21)12-10(15)11(17-18-12)8-5-6-8/h8H,5-7,15H2,1-4H3,(H,16,20)(H,17,18).
What are the key properties of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62078626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).